update notebooks

bindingdb_single.ipynb

@@ -0,0 +1,1036 @@
+{
+ "cells": [
+  {
+   "cell_type": "code",
+   "execution_count": 1,
+   "id": "ecce356e-321b-441e-8a5d-a20bf72f8691",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "import pandas as pd\n",
+    "import dask.dataframe as dd"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 2,
+   "id": "89cbcd82-4ca2-4aba-95b7-e58c0ceed770",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "cols = ['Ligand SMILES', 'IC50 (nM)','KEGG ID of Ligand','Ki (nM)', 'Kd (nM)','EC50 (nM)']"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 3,
+   "id": "1b923f02-e858-4737-ab5e-4c98c2def1b6",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "allseq = ['BindingDB Target Chain  Sequence']+['BindingDB Target Chain  Sequence.{}'.format(j) for j in range(1,13)]"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 4,
+   "id": "54f0721e-1e36-48cc-a635-a1617a04f9e5",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "dtypes = {'BindingDB Target Chain  Sequence.{}'.format(i): 'object' for i in range(1,13)}"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 5,
+   "id": "c1843c65-a5ef-4604-adca-40fb18bc2991",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "dtypes.update({'BindingDB Target Chain  Sequence': 'object',\n",
+    "           'IC50 (nM)': 'object',\n",
+    "           'KEGG ID of Ligand': 'object',\n",
+    "           'Ki (nM)': 'object',\n",
+    "           'Kd (nM)': 'object',\n",
+    "           'EC50 (nM)': 'object',\n",
+    "           'koff (s-1)': 'object'})"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 6,
+   "id": "aa337ac3-4ca1-4369-a9c7-ab705221a137",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "seq_name = 'BindingDB Target Chain  Sequence'"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 7,
+   "id": "a870d8d7-374b-4474-b9ee-305bbf9f17a9",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "import tqdm.notebook"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 8,
+   "id": "e97d29e6-d153-480e-a1ee-c216c22af8d2",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "ddf = dd.read_csv('bindingdb/data/BindingDB_All.tsv',sep='\\t',\n",
+    "                  error_bad_lines=False,\n",
+    "                  usecols=cols+allseq,\n",
+    "                  dtype=dtypes)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 11,
+   "id": "a4b381c0-968b-4248-a24f-9609acb12136",
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "0.04789522637942933"
+      ]
+     },
+     "execution_count": 11,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "len(ddf[~ddf['BindingDB Target Chain  Sequence.1'].isnull()])/len(ddf[~ddf['BindingDB Target Chain  Sequence'].isnull()])"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 18,
+   "id": "7a8efd3f-c9c4-4f6a-83e5-9e9610deb17f",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "# remove rows with more than one target\n",
+    "ddf_prune = ddf[ddf['BindingDB Target Chain  Sequence.1'].isnull()]\n",
+    "ddf_prune = ddf_prune.rename(columns={'BindingDB Target Chain  Sequence': 'seq'})"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 19,
+   "id": "c00102b8-f4be-4ebd-8d30-7a2c7fc2d05e",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "ddf_nonnull = ddf_prune[~ddf_prune.seq.isnull()].copy()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 20,
+   "id": "c5337e06-1e45-4180-90ed-49ac9ecdd24a",
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>Ligand SMILES</th>\n",
+       "      <th>Ki (nM)</th>\n",
+       "      <th>IC50 (nM)</th>\n",
+       "      <th>Kd (nM)</th>\n",
+       "      <th>EC50 (nM)</th>\n",
+       "      <th>KEGG ID of Ligand</th>\n",
+       "      <th>seq</th>\n",
+       "      <th>BindingDB Target Chain  Sequence.1</th>\n",
+       "      <th>BindingDB Target Chain  Sequence.2</th>\n",
+       "      <th>BindingDB Target Chain  Sequence.3</th>\n",
+       "      <th>BindingDB Target Chain  Sequence.4</th>\n",
+       "      <th>BindingDB Target Chain  Sequence.5</th>\n",
+       "      <th>BindingDB Target Chain  Sequence.6</th>\n",
+       "      <th>BindingDB Target Chain  Sequence.7</th>\n",
+       "      <th>BindingDB Target Chain  Sequence.8</th>\n",
+       "      <th>BindingDB Target Chain  Sequence.9</th>\n",
+       "      <th>BindingDB Target Chain  Sequence.10</th>\n",
+       "      <th>BindingDB Target Chain  Sequence.11</th>\n",
+       "      <th>BindingDB Target Chain  Sequence.12</th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>0</th>\n",
+       "      <td>COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1</td>\n",
+       "      <td>0.24</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKM...</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>1</th>\n",
+       "      <td>O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(C\\C=C\\c2cn...</td>\n",
+       "      <td>0.25</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKM...</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>2</th>\n",
+       "      <td>O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CC2CC2)C(=...</td>\n",
+       "      <td>0.41</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKM...</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>3</th>\n",
+       "      <td>OCCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@...</td>\n",
+       "      <td>0.8</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKM...</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>4</th>\n",
+       "      <td>OCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H...</td>\n",
+       "      <td>0.99</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKM...</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                                       Ligand SMILES Ki (nM) IC50 (nM)  \\\n",
+       "0      COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1    0.24       NaN   \n",
+       "1  O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(C\\C=C\\c2cn...    0.25       NaN   \n",
+       "2  O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CC2CC2)C(=...    0.41       NaN   \n",
+       "3  OCCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@...     0.8       NaN   \n",
+       "4  OCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H...    0.99       NaN   \n",
+       "\n",
+       "  Kd (nM) EC50 (nM) KEGG ID of Ligand  \\\n",
+       "0     NaN       NaN               NaN   \n",
+       "1     NaN       NaN               NaN   \n",
+       "2     NaN       NaN               NaN   \n",
+       "3     NaN       NaN               NaN   \n",
+       "4     NaN       NaN               NaN   \n",
+       "\n",
+       "                                                 seq  \\\n",
+       "0  PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKM...   \n",
+       "1  PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKM...   \n",
+       "2  PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKM...   \n",
+       "3  PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKM...   \n",
+       "4  PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKM...   \n",
+       "\n",
+       "  BindingDB Target Chain  Sequence.1 BindingDB Target Chain  Sequence.2  \\\n",
+       "0                                NaN                                NaN   \n",
+       "1                                NaN                                NaN   \n",
+       "2                                NaN                                NaN   \n",
+       "3                                NaN                                NaN   \n",
+       "4                                NaN                                NaN   \n",
+       "\n",
+       "  BindingDB Target Chain  Sequence.3 BindingDB Target Chain  Sequence.4  \\\n",
+       "0                                NaN                                NaN   \n",
+       "1                                NaN                                NaN   \n",
+       "2                                NaN                                NaN   \n",
+       "3                                NaN                                NaN   \n",
+       "4                                NaN                                NaN   \n",
+       "\n",
+       "  BindingDB Target Chain  Sequence.5 BindingDB Target Chain  Sequence.6  \\\n",
+       "0                                NaN                                NaN   \n",
+       "1                                NaN                                NaN   \n",
+       "2                                NaN                                NaN   \n",
+       "3                                NaN                                NaN   \n",
+       "4                                NaN                                NaN   \n",
+       "\n",
+       "  BindingDB Target Chain  Sequence.7 BindingDB Target Chain  Sequence.8  \\\n",
+       "0                                NaN                                NaN   \n",
+       "1                                NaN                                NaN   \n",
+       "2                                NaN                                NaN   \n",
+       "3                                NaN                                NaN   \n",
+       "4                                NaN                                NaN   \n",
+       "\n",
+       "  BindingDB Target Chain  Sequence.9 BindingDB Target Chain  Sequence.10  \\\n",
+       "0                                NaN                                 NaN   \n",
+       "1                                NaN                                 NaN   \n",
+       "2                                NaN                                 NaN   \n",
+       "3                                NaN                                 NaN   \n",
+       "4                                NaN                                 NaN   \n",
+       "\n",
+       "  BindingDB Target Chain  Sequence.11 BindingDB Target Chain  Sequence.12  \n",
+       "0                                 NaN                                 NaN  \n",
+       "1                                 NaN                                 NaN  \n",
+       "2                                 NaN                                 NaN  \n",
+       "3                                 NaN                                 NaN  \n",
+       "4                                 NaN                                 NaN  "
+      ]
+     },
+     "execution_count": 20,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "ddf_nonnull.head()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 21,
+   "id": "7b423365-4989-4325-a5a5-845d852d52e9",
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "2221761"
+      ]
+     },
+     "execution_count": 21,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "len(ddf_nonnull)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 22,
+   "id": "872edb84-3459-43d9-8e0e-e2a6b5d281eb",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "from pint import UnitRegistry\n",
+    "import numpy as np\n",
+    "import re\n",
+    "ureg = UnitRegistry()\n",
+    "\n",
+    "def to_uM(affinities):\n",
+    "    ic50, Ki, Kd, ec50 = affinities\n",
+    "\n",
+    "    vals = []\n",
+    "        \n",
+    "    try:\n",
+    "        ic50 =  ureg(str(ic50)+'nM').m_as(ureg.uM)\n",
+    "        vals.append(ic50)\n",
+    "    except:\n",
+    "        pass\n",
+    "\n",
+    "    try:\n",
+    "        Ki = ureg(str(Ki)+'nM').m_as(ureg.uM)\n",
+    "        vals.append(Ki)\n",
+    "    except:\n",
+    "        pass\n",
+    "\n",
+    "    try:\n",
+    "        Kd = ureg(str(Kd)+'nM').m_as(ureg.uM)\n",
+    "        vals.append(Kd)\n",
+    "    except:\n",
+    "        pass\n",
+    "\n",
+    "    try:\n",
+    "        ec50 =  ureg(str(ec50)+'nM').m_as(ureg.uM)\n",
+    "        vals.append(ec50)\n",
+    "    except:\n",
+    "        pass\n",
+    "\n",
+    "    if len(vals) > 0:\n",
+    "        vals = np.array(vals)\n",
+    "        return np.mean(vals[~np.isnan(vals)])\n",
+    "    \n",
+    "    return None"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 23,
+   "id": "b3cff13c-19b2-4413-a84b-d99062f516a7",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "df_nonnull = ddf_nonnull.compute()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 24,
+   "id": "ca9795de-e821-4dc3-a7bf-70ade9e4c7f0",
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "INFO: Pandarallel will run on 32 workers.\n",
+      "INFO: Pandarallel will use Memory file system to transfer data between the main process and workers.\n"
+     ]
+    }
+   ],
+   "source": [
+    "from pandarallel import pandarallel\n",
+    "pandarallel.initialize()\n"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 25,
+   "id": "4356a3e2-fede-48e7-a486-343661fe0a0a",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "df_affinity = df_nonnull.copy()\n",
+    "df_affinity['affinity_uM'] = df_affinity[['IC50 (nM)', 'Ki (nM)', 'Kd (nM)','EC50 (nM)']].parallel_apply(to_uM,axis=1)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 26,
+   "id": "e91c3af8-84a5-42a2-9e25-49cb2f320b0b",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "df_affinity[~df_affinity['affinity_uM'].isnull()].to_parquet('data/bindingdb.parquet')"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 27,
+   "id": "f3a9173e-d574-4314-9cea-f8c0a66766c0",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "import pandas as pd\n",
+    "df_affinity = pd.read_parquet('data/bindingdb.parquet')"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 28,
+   "id": "f602fdbe-7083-436c-9eac-9d97fbc8be67",
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "2219812"
+      ]
+     },
+     "execution_count": 28,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "len(df_affinity)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 29,
+   "id": "27194288-cf3e-4c30-ad55-3b0998fdf939",
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>Ligand SMILES</th>\n",
+       "      <th>Ki (nM)</th>\n",
+       "      <th>IC50 (nM)</th>\n",
+       "      <th>Kd (nM)</th>\n",
+       "      <th>EC50 (nM)</th>\n",
+       "      <th>KEGG ID of Ligand</th>\n",
+       "      <th>seq</th>\n",
+       "      <th>BindingDB Target Chain  Sequence.1</th>\n",
+       "      <th>BindingDB Target Chain  Sequence.2</th>\n",
+       "      <th>BindingDB Target Chain  Sequence.3</th>\n",
+       "      <th>BindingDB Target Chain  Sequence.4</th>\n",
+       "      <th>BindingDB Target Chain  Sequence.5</th>\n",
+       "      <th>BindingDB Target Chain  Sequence.6</th>\n",
+       "      <th>BindingDB Target Chain  Sequence.7</th>\n",
+       "      <th>BindingDB Target Chain  Sequence.8</th>\n",
+       "      <th>BindingDB Target Chain  Sequence.9</th>\n",
+       "      <th>BindingDB Target Chain  Sequence.10</th>\n",
+       "      <th>BindingDB Target Chain  Sequence.11</th>\n",
+       "      <th>BindingDB Target Chain  Sequence.12</th>\n",
+       "      <th>affinity_uM</th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>0</th>\n",
+       "      <td>COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1</td>\n",
+       "      <td>0.24</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKM...</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>0.00024</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>1</th>\n",
+       "      <td>O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(C\\C=C\\c2cn...</td>\n",
+       "      <td>0.25</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKM...</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>0.00025</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>2</th>\n",
+       "      <td>O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CC2CC2)C(=...</td>\n",
+       "      <td>0.41</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKM...</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>0.00041</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>3</th>\n",
+       "      <td>OCCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@...</td>\n",
+       "      <td>0.8</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKM...</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>0.00080</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>4</th>\n",
+       "      <td>OCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H...</td>\n",
+       "      <td>0.99</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKM...</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>0.00099</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                                       Ligand SMILES Ki (nM) IC50 (nM)  \\\n",
+       "0      COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1    0.24      None   \n",
+       "1  O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(C\\C=C\\c2cn...    0.25      None   \n",
+       "2  O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CC2CC2)C(=...    0.41      None   \n",
+       "3  OCCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@...     0.8      None   \n",
+       "4  OCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H...    0.99      None   \n",
+       "\n",
+       "  Kd (nM) EC50 (nM) KEGG ID of Ligand  \\\n",
+       "0    None      None              None   \n",
+       "1    None      None              None   \n",
+       "2    None      None              None   \n",
+       "3    None      None              None   \n",
+       "4    None      None              None   \n",
+       "\n",
+       "                                                 seq  \\\n",
+       "0  PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKM...   \n",
+       "1  PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKM...   \n",
+       "2  PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKM...   \n",
+       "3  PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKM...   \n",
+       "4  PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKM...   \n",
+       "\n",
+       "  BindingDB Target Chain  Sequence.1 BindingDB Target Chain  Sequence.2  \\\n",
+       "0                               None                               None   \n",
+       "1                               None                               None   \n",
+       "2                               None                               None   \n",
+       "3                               None                               None   \n",
+       "4                               None                               None   \n",
+       "\n",
+       "  BindingDB Target Chain  Sequence.3 BindingDB Target Chain  Sequence.4  \\\n",
+       "0                               None                               None   \n",
+       "1                               None                               None   \n",
+       "2                               None                               None   \n",
+       "3                               None                               None   \n",
+       "4                               None                               None   \n",
+       "\n",
+       "  BindingDB Target Chain  Sequence.5 BindingDB Target Chain  Sequence.6  \\\n",
+       "0                               None                               None   \n",
+       "1                               None                               None   \n",
+       "2                               None                               None   \n",
+       "3                               None                               None   \n",
+       "4                               None                               None   \n",
+       "\n",
+       "  BindingDB Target Chain  Sequence.7 BindingDB Target Chain  Sequence.8  \\\n",
+       "0                               None                               None   \n",
+       "1                               None                               None   \n",
+       "2                               None                               None   \n",
+       "3                               None                               None   \n",
+       "4                               None                               None   \n",
+       "\n",
+       "  BindingDB Target Chain  Sequence.9 BindingDB Target Chain  Sequence.10  \\\n",
+       "0                               None                                None   \n",
+       "1                               None                                None   \n",
+       "2                               None                                None   \n",
+       "3                               None                                None   \n",
+       "4                               None                                None   \n",
+       "\n",
+       "  BindingDB Target Chain  Sequence.11 BindingDB Target Chain  Sequence.12  \\\n",
+       "0                                None                                None   \n",
+       "1                                None                                None   \n",
+       "2                                None                                None   \n",
+       "3                                None                                None   \n",
+       "4                                None                                None   \n",
+       "\n",
+       "   affinity_uM  \n",
+       "0      0.00024  \n",
+       "1      0.00025  \n",
+       "2      0.00041  \n",
+       "3      0.00080  \n",
+       "4      0.00099  "
+      ]
+     },
+     "execution_count": 29,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "df_affinity.head()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 30,
+   "id": "603fd298-0aa6-4097-b298-c55db013548c",
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "2219812"
+      ]
+     },
+     "execution_count": 30,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "len(df_affinity)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 31,
+   "id": "d95ad9a9-d4ca-4679-8a33-235fe6e7047f",
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "2219812"
+      ]
+     },
+     "execution_count": 31,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "len(df_affinity[~df_affinity['affinity_uM'].isnull()])"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 25,
+   "id": "20690729",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "import rdkit.Chem as Chem"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 27,
+   "id": "48114dcc",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "df_pdb = df[~df['PDB ID(s) for Ligand-Target Complex'].isnull()][['PDB ID(s) for Ligand-Target Complex','Ligand SMILES']]"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 28,
+   "id": "caa0497c",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "def make_canonical(smi):\n",
+    "    return Chem.MolToSmiles(Chem.MolFromSmiles(smi))\n",
+    "\n",
+    "df_pdb['can_smiles'] = df_pdb['Ligand SMILES'].apply(make_canonical)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 29,
+   "id": "e82d64f3",
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>PDB ID(s) for Ligand-Target Complex</th>\n",
+       "      <th>Ligand SMILES</th>\n",
+       "      <th>can_smiles</th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>0</th>\n",
+       "      <td>2IVU</td>\n",
+       "      <td>COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1</td>\n",
+       "      <td>COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>29</th>\n",
+       "      <td>1HWR</td>\n",
+       "      <td>O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CC=C)C(=O)...</td>\n",
+       "      <td>C=CCN1C(=O)N(CC=C)[C@H](Cc2ccccc2)[C@H](O)[C@@...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>34</th>\n",
+       "      <td>6DGY,6DH1,6DH4,6DH7,3O99</td>\n",
+       "      <td>CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O...</td>\n",
+       "      <td>CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>129</th>\n",
+       "      <td>1MES,1MEU,1MET,1BVG,1BVE,3JVW,1QBS</td>\n",
+       "      <td>OCc1ccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C...</td>\n",
+       "      <td>O=C1N(Cc2ccc(CO)cc2)[C@H](Cc2ccccc2)[C@H](O)[C...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>130</th>\n",
+       "      <td>1MER,1DMP,1RQ9</td>\n",
+       "      <td>Nc1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C...</td>\n",
+       "      <td>Nc1cccc(CN2C(=O)N(Cc3cccc(N)c3)[C@H](Cc3ccccc3...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>...</th>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>2333375</th>\n",
+       "      <td>1MUI,2RKG,2RKF,1RV7,2Q5K,2O4S,6DJ1,6DJ2,3OGQ,2...</td>\n",
+       "      <td>CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@...</td>\n",
+       "      <td>Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>2333376</th>\n",
+       "      <td>4NPT,4DQH,4DQE,5E5J,3JW2,6OPU,6OPX,2HS2,2HS1,2...</td>\n",
+       "      <td>CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]...</td>\n",
+       "      <td>CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>2333380</th>\n",
+       "      <td>6EKZ,1DY4,5FUK,6PS5</td>\n",
+       "      <td>CC(C)NCC(O)COc1cccc2ccccc12</td>\n",
+       "      <td>CC(C)NCC(O)COc1cccc2ccccc12</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>2333384</th>\n",
+       "      <td>6EKZ,1DY4,5FUK,6PS5</td>\n",
+       "      <td>CC(C)NCC(O)COc1cccc2ccccc12</td>\n",
+       "      <td>CC(C)NCC(O)COc1cccc2ccccc12</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>2333385</th>\n",
+       "      <td>6A60,3DCT</td>\n",
+       "      <td>CC(C)c1onc(c1COc1ccc(\\C=C\\c2cccc(c2)C(O)=O)c(C...</td>\n",
+       "      <td>CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(/C=C/c2cc...</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "<p>123385 rows × 3 columns</p>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                       PDB ID(s) for Ligand-Target Complex  \\\n",
+       "0                                                     2IVU   \n",
+       "29                                                    1HWR   \n",
+       "34                                6DGY,6DH1,6DH4,6DH7,3O99   \n",
+       "129                     1MES,1MEU,1MET,1BVG,1BVE,3JVW,1QBS   \n",
+       "130                                         1MER,1DMP,1RQ9   \n",
+       "...                                                    ...   \n",
+       "2333375  1MUI,2RKG,2RKF,1RV7,2Q5K,2O4S,6DJ1,6DJ2,3OGQ,2...   \n",
+       "2333376  4NPT,4DQH,4DQE,5E5J,3JW2,6OPU,6OPX,2HS2,2HS1,2...   \n",
+       "2333380                                6EKZ,1DY4,5FUK,6PS5   \n",
+       "2333384                                6EKZ,1DY4,5FUK,6PS5   \n",
+       "2333385                                          6A60,3DCT   \n",
+       "\n",
+       "                                             Ligand SMILES  \\\n",
+       "0            COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1   \n",
+       "29       O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CC=C)C(=O)...   \n",
+       "34       CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O...   \n",
+       "129      OCc1ccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C...   \n",
+       "130      Nc1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C...   \n",
+       "...                                                    ...   \n",
+       "2333375  CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@...   \n",
+       "2333376  CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]...   \n",
+       "2333380                        CC(C)NCC(O)COc1cccc2ccccc12   \n",
+       "2333384                        CC(C)NCC(O)COc1cccc2ccccc12   \n",
+       "2333385  CC(C)c1onc(c1COc1ccc(\\C=C\\c2cccc(c2)C(O)=O)c(C...   \n",
+       "\n",
+       "                                                can_smiles  \n",
+       "0            COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1  \n",
+       "29       C=CCN1C(=O)N(CC=C)[C@H](Cc2ccccc2)[C@H](O)[C@@...  \n",
+       "34       CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O...  \n",
+       "129      O=C1N(Cc2ccc(CO)cc2)[C@H](Cc2ccccc2)[C@H](O)[C...  \n",
+       "130      Nc1cccc(CN2C(=O)N(Cc3cccc(N)c3)[C@H](Cc3ccccc3...  \n",
+       "...                                                    ...  \n",
+       "2333375  Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)...  \n",
+       "2333376  CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]...  \n",
+       "2333380                        CC(C)NCC(O)COc1cccc2ccccc12  \n",
+       "2333384                        CC(C)NCC(O)COc1cccc2ccccc12  \n",
+       "2333385  CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(/C=C/c2cc...  \n",
+       "\n",
+       "[123385 rows x 3 columns]"
+      ]
+     },
+     "execution_count": 29,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "df_pdb"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "593c9aec",
+   "metadata": {},
+   "outputs": [],
+   "source": []
+  }
+ ],
+ "metadata": {
+  "kernelspec": {
+   "display_name": "Python 3",
+   "language": "python",
+   "name": "python3"
+  },
+  "language_info": {
+   "codemirror_mode": {
+    "name": "ipython",
+    "version": 3
+   },
+   "file_extension": ".py",
+   "mimetype": "text/x-python",
+   "name": "python",
+   "nbconvert_exporter": "python",
+   "pygments_lexer": "ipython3",
+   "version": "3.9.4"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 5
+}

combine_dbs.ipynb

@@ -238,7 +238,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 10,
+   "execution_count": 7,
    "id": "d7bfee2a-c4e6-48c9-b0c6-52f6a69c7453",
    "metadata": {},
    "outputs": [],
@@ -249,7 +249,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 11,
+   "execution_count": 8,
    "id": "25553199-1715-40fb-9260-427bdd6c3706",
    "metadata": {},
    "outputs": [
@@ -381,7 +381,7 @@
        "[25425 rows x 3 columns]"
       ]
      },
-     "execution_count": 11,
+     "execution_count": 8,
      "metadata": {},
      "output_type": "execute_result"
     }
@@ -392,7 +392,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 12,
+   "execution_count": 9,
    "id": "b2c936bc-cdc8-4bc1-b92d-f8755fd65f0a",
    "metadata": {},
    "outputs": [],
@@ -403,7 +403,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 13,
+   "execution_count": 10,
    "id": "cee93018-601d-458b-af44-bd978da7a2bc",
    "metadata": {},
    "outputs": [
@@ -535,7 +535,7 @@
        "[13645 rows x 3 columns]"
       ]
      },
-     "execution_count": 13,
+     "execution_count": 10,
      "metadata": {},
      "output_type": "execute_result"
     }
@@ -546,7 +546,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 14,
+   "execution_count": 11,
    "id": "195f92db-fe06-4d03-8500-8d6c310a3347",
    "metadata": {},
    "outputs": [],
@@ -556,17 +556,17 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 15,
+   "execution_count": 12,
    "id": "d25c1e24-6566-4944-a0b4-944b3c8dbc6f",
    "metadata": {},
    "outputs": [
     {
      "data": {
       "text/plain": [
-       "2574545"
+       "2283641"
       ]
      },
-     "execution_count": 15,
+     "execution_count": 12,
      "metadata": {},
      "output_type": "execute_result"
     }
@@ -577,7 +577,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 16,
+   "execution_count": 13,
    "id": "c8287da2-cfdf-4d89-b175-f4c6b38ff8ac",
    "metadata": {},
    "outputs": [
@@ -607,7 +607,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 18,
+   "execution_count": 16,
    "id": "59a6706d-dab9-4ee0-8ef6-33537a3622a4",
    "metadata": {},
    "outputs": [],
@@ -617,7 +617,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 7,
+   "execution_count": 17,
    "id": "4ccf2ee5-d369-4c0e-bb91-792765d661bf",
    "metadata": {},
    "outputs": [],
@@ -627,7 +627,28 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 2,
+   "execution_count": 18,
+   "id": "399f4ace-6dc3-441f-972a-f7b3a103e239",
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "2283641"
+      ]
+     },
+     "execution_count": 18,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "len(df_all)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 19,
    "id": "8a4bbb18-e62f-4774-ac6b-8a1be68204c1",
    "metadata": {},
    "outputs": [],
@@ -638,17 +659,17 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 3,
+   "execution_count": 25,
    "id": "d210fe56-a7eb-4adc-a77a-14c0c6d0034e",
    "metadata": {},
    "outputs": [
     {
      "data": {
       "text/plain": [
-       "2568079"
+       "2277323"
       ]
      },
-     "execution_count": 3,
+     "execution_count": 25,
      "metadata": {},
      "output_type": "execute_result"
     }
@@ -659,7 +680,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 4,
+   "execution_count": 26,
    "id": "d12b365d-98bd-4b61-b836-1a08d2e55418",
    "metadata": {},
    "outputs": [],
@@ -670,7 +691,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 8,
+   "execution_count": 27,
    "id": "80c15210-1af3-436e-970b-f81fc596fb41",
    "metadata": {},
    "outputs": [],
@@ -680,7 +701,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 9,
+   "execution_count": 28,
    "id": "30c314b8-8fe7-48ae-a2b8-149de1471b0c",
    "metadata": {},
    "outputs": [
@@ -696,7 +717,7 @@
        "dtype: object"
       ]
      },
-     "execution_count": 9,
+     "execution_count": 28,
      "metadata": {},
      "output_type": "execute_result"
     }
@@ -707,7 +728,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 10,
+   "execution_count": 29,
    "id": "70a0a820-4d0c-4472-af96-9c301c0ab204",
    "metadata": {},
    "outputs": [],
@@ -717,7 +738,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 11,
+   "execution_count": 30,
    "id": "13d092fa-5625-40d0-b7ec-e3405ea20279",
    "metadata": {},
    "outputs": [
@@ -827,7 +848,7 @@
        "      <td>...</td>\n",
        "    </tr>\n",
        "    <tr>\n",
-       "      <th>2568074</th>\n",
+       "      <th>2277318</th>\n",
        "      <td>PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKM...</td>\n",
        "      <td>O[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)NC(=...</td>\n",
        "      <td>0.0045</td>\n",
@@ -839,7 +860,7 @@
        "      <td>252</td>\n",
        "    </tr>\n",
        "    <tr>\n",
-       "      <th>2568075</th>\n",
+       "      <th>2277319</th>\n",
        "      <td>PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKM...</td>\n",
        "      <td>O[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)NC(=...</td>\n",
        "      <td>0.0045</td>\n",
@@ -851,7 +872,7 @@
        "      <td>252</td>\n",
        "    </tr>\n",
        "    <tr>\n",
-       "      <th>2568076</th>\n",
+       "      <th>2277320</th>\n",
        "      <td>SKVVVPAQGKKITLQNGKLNVPENPIIPYIEGDGIGVDVTPAMLKV...</td>\n",
        "      <td>O[C@@H]1[C@@H](COP(=O)(O)O)O[C@H]([C@@H]1OP(=O...</td>\n",
        "      <td>125.0000</td>\n",
@@ -863,7 +884,7 @@
        "      <td>124</td>\n",
        "    </tr>\n",
        "    <tr>\n",
-       "      <th>2568077</th>\n",
+       "      <th>2277321</th>\n",
        "      <td>ANIVGGIEYSINNASLCSVGFSVTRGATKGFVTAGHCGTVNATARI...</td>\n",
        "      <td>CC(C[C@@H](B(O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]...</td>\n",
        "      <td>2.0000</td>\n",
@@ -875,7 +896,7 @@
        "      <td>204</td>\n",
        "    </tr>\n",
        "    <tr>\n",
-       "      <th>2568078</th>\n",
+       "      <th>2277322</th>\n",
        "      <td>KFPRVKNWELGSITYDTLCAQSQQDGPCTPRRCLGSLVLPRKLQTR...</td>\n",
        "      <td>CC[Se]C(=N)N</td>\n",
        "      <td>0.0390</td>\n",
@@ -888,7 +909,7 @@
        "    </tr>\n",
        "  </tbody>\n",
        "</table>\n",
-       "<p>2568079 rows × 9 columns</p>\n",
+       "<p>2277323 rows × 9 columns</p>\n",
        "</div>"
       ],
       "text/plain": [
@@ -899,11 +920,11 @@
        "3        AAPFDKSKNVAQSIDQLIGQTPALYLNKLNNTKAKVVLKMECENPM...   \n",
        "4        YITFRSFTAVLIAFFLTLVLSPSFINRLRKIQRKKYTPTMGGIVIL...   \n",
        "...                                                    ...   \n",
-       "2568074  PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKM...   \n",
-       "2568075  PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKM...   \n",
-       "2568076  SKVVVPAQGKKITLQNGKLNVPENPIIPYIEGDGIGVDVTPAMLKV...   \n",
-       "2568077  ANIVGGIEYSINNASLCSVGFSVTRGATKGFVTAGHCGTVNATARI...   \n",
-       "2568078  KFPRVKNWELGSITYDTLCAQSQQDGPCTPRRCLGSLVLPRKLQTR...   \n",
+       "2277318  PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKM...   \n",
+       "2277319  PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKM...   \n",
+       "2277320  SKVVVPAQGKKITLQNGKLNVPENPIIPYIEGDGIGVDVTPAMLKV...   \n",
+       "2277321  ANIVGGIEYSINNASLCSVGFSVTRGATKGFVTAGHCGTVNATARI...   \n",
+       "2277322  KFPRVKNWELGSITYDTLCAQSQQDGPCTPRRCLGSLVLPRKLQTR...   \n",
        "\n",
        "                                                    smiles  affinity_uM  \\\n",
        "0                                CCCCCCCCCCCCCCCCCCCC(=O)O       0.0260   \n",
@@ -912,11 +933,11 @@
        "3        OC[C@@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)O)NC(=O)...       6.4300   \n",
        "4        CO[C@@H]1[C@H](O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1...       0.1850   \n",
        "...                                                    ...          ...   \n",
-       "2568074  O[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)NC(=...       0.0045   \n",
-       "2568075  O[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)NC(=...       0.0045   \n",
-       "2568076  O[C@@H]1[C@@H](COP(=O)(O)O)O[C@H]([C@@H]1OP(=O...     125.0000   \n",
-       "2568077  CC(C[C@@H](B(O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]...       2.0000   \n",
-       "2568078                                       CC[Se]C(=N)N       0.0390   \n",
+       "2277318  O[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)NC(=...       0.0045   \n",
+       "2277319  O[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)NC(=...       0.0045   \n",
+       "2277320  O[C@@H]1[C@@H](COP(=O)(O)O)O[C@H]([C@@H]1OP(=O...     125.0000   \n",
+       "2277321  CC(C[C@@H](B(O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]...       2.0000   \n",
+       "2277322                                       CC[Se]C(=N)N       0.0390   \n",
        "\n",
        "                  0           1           2           3           4    5  \n",
        "0                 0           0   805306368   272271360   890245320  136  \n",
@@ -925,16 +946,16 @@
        "3                 0     6685696  2033191680  1345701844  2133187096  220  \n",
        "4           1048576  1107427332  2109513024  4081492984  4026260436  252  \n",
        "...             ...         ...         ...         ...         ...  ...  \n",
-       "2568074       65536      393216   964698368   369403648  4284858000  252  \n",
-       "2568075       65536      393216   964698368   369403648  4284858000  252  \n",
-       "2568076    67108864  1115688962  1771869508  4018431718  3744193341  124  \n",
-       "2568077     2097152      137216   958148868  1746307978  2067783280  204  \n",
-       "2568078          16        6144   537396736     2170880  1510015504  192  \n",
+       "2277318       65536      393216   964698368   369403648  4284858000  252  \n",
+       "2277319       65536      393216   964698368   369403648  4284858000  252  \n",
+       "2277320    67108864  1115688962  1771869508  4018431718  3744193341  124  \n",
+       "2277321     2097152      137216   958148868  1746307978  2067783280  204  \n",
+       "2277322          16        6144   537396736     2170880  1510015504  192  \n",
        "\n",
-       "[2568079 rows x 9 columns]"
+       "[2277323 rows x 9 columns]"
       ]
      },
-     "execution_count": 11,
+     "execution_count": 30,
      "metadata": {},
      "output_type": "execute_result"
     }
@@ -945,7 +966,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 12,
+   "execution_count": 31,
    "id": "30f7fff7-3cfe-41c8-97c9-666f3e256222",
    "metadata": {},
    "outputs": [
@@ -955,7 +976,7 @@
        "Index(['seq', 'smiles', 'affinity_uM', 0, 1, 2, 3, 4, 5], dtype='object')"
       ]
      },
-     "execution_count": 12,
+     "execution_count": 31,
      "metadata": {},
      "output_type": "execute_result"
     }
@@ -966,7 +987,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 13,
+   "execution_count": 32,
    "id": "16d2b26e-984f-4c71-af19-a3e711ed9ca2",
    "metadata": {},
    "outputs": [],
@@ -976,7 +997,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 14,
+   "execution_count": 33,
    "id": "27fa2150-8152-444b-ba5b-24bea39fc098",
    "metadata": {},
    "outputs": [
@@ -986,7 +1007,7 @@
        "Index(['smiles', 'affinity_uM'], dtype='object')"
       ]
      },
-     "execution_count": 14,
+     "execution_count": 33,
      "metadata": {},
      "output_type": "execute_result"
     }
@@ -997,7 +1018,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 15,
+   "execution_count": 34,
    "id": "89edacbc-52f3-4a76-90b0-95273f5e53b3",
    "metadata": {},
    "outputs": [],
@@ -1008,7 +1029,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 31,
+   "execution_count": 36,
    "id": "6a704c5e-68a6-418f-bcad-8688a13ca1d6",
    "metadata": {},
    "outputs": [],
@@ -1018,7 +1039,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 32,
+   "execution_count": 37,
    "id": "0cad3882-975d-4693-aad1-63ec26646bd0",
    "metadata": {},
    "outputs": [
@@ -1037,7 +1058,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 33,
+   "execution_count": 38,
    "id": "c200e29a-3f14-41f4-b620-ccce0eb0d5ce",
    "metadata": {},
    "outputs": [
@@ -1112,35 +1133,35 @@
        "      <td>...</td>\n",
        "    </tr>\n",
        "    <tr>\n",
-       "      <th>1929143</th>\n",
+       "      <th>1838495</th>\n",
        "      <td>IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLL...</td>\n",
        "      <td>O=C[C@@H](NC(=O)[C@H](Cc1ccc(cc1)OS(O)(O)O)NC(...</td>\n",
        "      <td>8.0000</td>\n",
        "      <td>5.096910</td>\n",
        "    </tr>\n",
        "    <tr>\n",
-       "      <th>1929144</th>\n",
+       "      <th>1838496</th>\n",
        "      <td>IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLL...</td>\n",
        "      <td>CC(C[C@@H](C(=O)N1C=CC[C@H]1C(=O)N)NC(=O)[C@@H...</td>\n",
        "      <td>8.0000</td>\n",
        "      <td>5.096910</td>\n",
        "    </tr>\n",
        "    <tr>\n",
-       "      <th>1929145</th>\n",
+       "      <th>1838497</th>\n",
        "      <td>PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKM...</td>\n",
        "      <td>O[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)NC(=...</td>\n",
        "      <td>0.0045</td>\n",
        "      <td>8.346787</td>\n",
        "    </tr>\n",
        "    <tr>\n",
-       "      <th>1929146</th>\n",
+       "      <th>1838498</th>\n",
        "      <td>ANIVGGIEYSINNASLCSVGFSVTRGATKGFVTAGHCGTVNATARI...</td>\n",
        "      <td>CC(C[C@@H](B(O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]...</td>\n",
        "      <td>2.0000</td>\n",
        "      <td>5.698970</td>\n",
        "    </tr>\n",
        "    <tr>\n",
-       "      <th>1929147</th>\n",
+       "      <th>1838499</th>\n",
        "      <td>KFPRVKNWELGSITYDTLCAQSQQDGPCTPRRCLGSLVLPRKLQTR...</td>\n",
        "      <td>CC[Se]C(=N)N</td>\n",
        "      <td>0.0390</td>\n",
@@ -1148,7 +1169,7 @@
        "    </tr>\n",
        "  </tbody>\n",
        "</table>\n",
-       "<p>1929148 rows × 4 columns</p>\n",
+       "<p>1838500 rows × 4 columns</p>\n",
        "</div>"
       ],
       "text/plain": [
@@ -1159,11 +1180,11 @@
        "3        AAPFDKSKNVAQSIDQLIGQTPALYLNKLNNTKAKVVLKMECENPM...   \n",
        "4        YITFRSFTAVLIAFFLTLVLSPSFINRLRKIQRKKYTPTMGGIVIL...   \n",
        "...                                                    ...   \n",
-       "1929143  IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLL...   \n",
-       "1929144  IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLL...   \n",
-       "1929145  PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKM...   \n",
-       "1929146  ANIVGGIEYSINNASLCSVGFSVTRGATKGFVTAGHCGTVNATARI...   \n",
-       "1929147  KFPRVKNWELGSITYDTLCAQSQQDGPCTPRRCLGSLVLPRKLQTR...   \n",
+       "1838495  IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLL...   \n",
+       "1838496  IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLL...   \n",
+       "1838497  PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKM...   \n",
+       "1838498  ANIVGGIEYSINNASLCSVGFSVTRGATKGFVTAGHCGTVNATARI...   \n",
+       "1838499  KFPRVKNWELGSITYDTLCAQSQQDGPCTPRRCLGSLVLPRKLQTR...   \n",
        "\n",
        "                                                    smiles  affinity_uM  \\\n",
        "0                                CCCCCCCCCCCCCCCCCCCC(=O)O       0.0260   \n",
@@ -1172,11 +1193,11 @@
        "3        OC[C@@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)O)NC(=O)...       6.4300   \n",
        "4        CO[C@@H]1[C@H](O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1...       0.1850   \n",
        "...                                                    ...          ...   \n",
-       "1929143  O=C[C@@H](NC(=O)[C@H](Cc1ccc(cc1)OS(O)(O)O)NC(...       8.0000   \n",
-       "1929144  CC(C[C@@H](C(=O)N1C=CC[C@H]1C(=O)N)NC(=O)[C@@H...       8.0000   \n",
-       "1929145  O[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)NC(=...       0.0045   \n",
-       "1929146  CC(C[C@@H](B(O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]...       2.0000   \n",
-       "1929147                                       CC[Se]C(=N)N       0.0390   \n",
+       "1838495  O=C[C@@H](NC(=O)[C@H](Cc1ccc(cc1)OS(O)(O)O)NC(...       8.0000   \n",
+       "1838496  CC(C[C@@H](C(=O)N1C=CC[C@H]1C(=O)N)NC(=O)[C@@H...       8.0000   \n",
+       "1838497  O[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)NC(=...       0.0045   \n",
+       "1838498  CC(C[C@@H](B(O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]...       2.0000   \n",
+       "1838499                                       CC[Se]C(=N)N       0.0390   \n",
        "\n",
        "         neg_log10_affinity_M  \n",
        "0                    7.585027  \n",
@@ -1185,16 +1206,16 @@
        "3                    5.191789  \n",
        "4                    6.732828  \n",
        "...                       ...  \n",
-       "1929143              5.096910  \n",
-       "1929144              5.096910  \n",
-       "1929145              8.346787  \n",
-       "1929146              5.698970  \n",
-       "1929147              7.408935  \n",
+       "1838495              5.096910  \n",
+       "1838496              5.096910  \n",
+       "1838497              8.346787  \n",
+       "1838498              5.698970  \n",
+       "1838499              7.408935  \n",
        "\n",
-       "[1929148 rows x 4 columns]"
+       "[1838500 rows x 4 columns]"
       ]
      },
-     "execution_count": 33,
+     "execution_count": 38,
      "metadata": {},
      "output_type": "execute_result"
     }
@@ -1205,7 +1226,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 34,
+   "execution_count": 52,
    "id": "7f4027a2-0a5f-47bf-8a34-0c6a73b9b112",
    "metadata": {},
    "outputs": [],
@@ -1215,7 +1236,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 35,
+   "execution_count": 53,
    "id": "eb99774f-9bcc-454d-b5e5-a8470223d6ca",
    "metadata": {},
    "outputs": [],
@@ -1230,7 +1251,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 36,
+   "execution_count": 54,
    "id": "4d44bd8e-f2e1-44b4-aea7-40b4437baf44",
    "metadata": {},
    "outputs": [],
@@ -1240,7 +1261,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 37,
+   "execution_count": 55,
    "id": "07ffdeb1-f4fa-4776-9fea-a18439e03d2e",
    "metadata": {},
    "outputs": [],
@@ -1250,7 +1271,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 23,
+   "execution_count": 56,
    "id": "8f949038-d07d-4d3a-a47e-b825cc9018ca",
    "metadata": {},
    "outputs": [],
@@ -1260,7 +1281,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 24,
+   "execution_count": 57,
    "id": "0c027988-0b44-4010-ad61-7d70eead1654",
    "metadata": {},
    "outputs": [],
@@ -1270,7 +1291,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 25,
+   "execution_count": 58,
    "id": "6aeba020-b6ff-4633-902e-4df74463eb2f",
    "metadata": {},
    "outputs": [],
@@ -1280,17 +1301,17 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 26,
+   "execution_count": 59,
    "id": "91196eee-5fd0-4aa4-927a-5c1a3f436ac8",
    "metadata": {},
    "outputs": [
     {
      "data": {
       "text/plain": [
-       "(array([6.51286529]), array([2.4379995]))"
+       "(array([6.50604534]), array([2.43319576]))"
       ]
      },
-     "execution_count": 26,
+     "execution_count": 59,
      "metadata": {},
      "output_type": "execute_result"
     }
@@ -1301,7 +1322,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 28,
+   "execution_count": 60,
    "id": "56269dcb-e691-4759-949d-7bfdd02f5fd4",
    "metadata": {},
    "outputs": [],
@@ -1311,18 +1332,18 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 50,
+   "execution_count": 61,
    "id": "c6c64066-4032-4247-a8b9-00388176cc7b",
    "metadata": {},
    "outputs": [],
    "source": [
     "#df.to_parquet('data/all.parquet')\n",
-    "df = pd.read_parquet('data/all.parquet')"
+    "#df = pd.read_parquet('data/all.parquet')"
    ]
   },
   {
    "cell_type": "code",
-   "execution_count": 30,
+   "execution_count": 62,
    "id": "469cf0dd-7b87-4245-973c-2a445e1fcca9",
    "metadata": {},
    "outputs": [
@@ -1334,7 +1355,7 @@
        "      dtype='object')"
       ]
      },
-     "execution_count": 30,
+     "execution_count": 62,
      "metadata": {},
      "output_type": "execute_result"
     }
@@ -1345,13 +1366,13 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 31,
+   "execution_count": 63,
    "id": "d91c0d91-474c-4ab2-9a5e-3b7861f7a832",
    "metadata": {},
    "outputs": [
     {
      "data": {
-      "image/png": "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\n",
+      "image/png": "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\n",
       "text/plain": [
        "<Figure size 432x288 with 1 Axes>"
       ]
@@ -1371,17 +1392,17 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 32,
+   "execution_count": 64,
    "id": "0e895ef5-1812-46c7-a4c2-dd6619b49157",
    "metadata": {},
    "outputs": [
     {
      "data": {
       "text/plain": [
-       "1927202"
+       "1836729"
       ]
      },
-     "execution_count": 32,
+     "execution_count": 64,
      "metadata": {},
      "output_type": "execute_result"
     }
@@ -1392,7 +1413,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 34,
+   "execution_count": 65,
    "id": "3af855d3-a943-4574-985c-540d3f6b6f80",
    "metadata": {},
    "outputs": [
@@ -1403,13 +1424,13 @@
        " 'with_std': True,\n",
        " 'copy': True,\n",
        " 'n_features_in_': 1,\n",
-       " 'n_samples_seen_': 1927202,\n",
-       " 'mean_': array([6.51286529]),\n",
-       " 'var_': array([2.4379995]),\n",
-       " 'scale_': array([1.56140946])}"
+       " 'n_samples_seen_': 1836729,\n",
+       " 'mean_': array([6.50604534]),\n",
+       " 'var_': array([2.43319576]),\n",
+       " 'scale_': array([1.55987043])}"
       ]
      },
-     "execution_count": 34,
+     "execution_count": 65,
      "metadata": {},
      "output_type": "execute_result"
     }
@@ -1420,7 +1441,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 27,
+   "execution_count": 66,
    "id": "15f8d5b9-37d5-453e-a6df-df6510cc5c81",
    "metadata": {},
    "outputs": [],
@@ -1450,7 +1471,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 35,
+   "execution_count": 67,
    "id": "8dec95dc-a014-4d39-ae51-8de981173573",
    "metadata": {},
    "outputs": [],
@@ -1461,7 +1482,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 36,
+   "execution_count": 68,
    "id": "3f90eadd-d7e4-4104-961f-adaf5437e24b",
    "metadata": {},
    "outputs": [],
@@ -1471,17 +1492,17 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 37,
+   "execution_count": 69,
    "id": "f5f5335a-8f28-4058-8647-fcc8f7d2f841",
    "metadata": {},
    "outputs": [
     {
      "data": {
       "text/plain": [
-       "1926799"
+       "1836326"
       ]
      },
-     "execution_count": 37,
+     "execution_count": 69,
      "metadata": {},
      "output_type": "execute_result"
     }
@@ -1492,7 +1513,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 47,
+   "execution_count": 70,
    "id": "47966268-c97c-4bd9-9c90-eb568249f2ef",
    "metadata": {},
    "outputs": [],
@@ -1510,7 +1531,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 40,
+   "execution_count": 71,
    "id": "c0d250a3-5680-446c-9c98-7d6623643304",
    "metadata": {},
    "outputs": [],
@@ -1521,7 +1542,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 44,
+   "execution_count": 72,
    "id": "0c7c0b26-1f2a-4b80-8117-f1e02719aac9",
    "metadata": {},
    "outputs": [
@@ -1529,14 +1550,14 @@
      "name": "stderr",
      "output_type": "stream",
      "text": [
-      "RDKit WARNING: [19:54:53] Warning: molecule is tagged as 3D, but all Z coords are zero\n",
-      "RDKit WARNING: [19:54:53] Warning: molecule is tagged as 3D, but all Z coords are zero\n",
-      "RDKit WARNING: [19:54:53] Warning: molecule is tagged as 3D, but all Z coords are zero\n",
-      "RDKit WARNING: [19:54:53] Warning: molecule is tagged as 3D, but all Z coords are zero\n",
-      "RDKit WARNING: [19:54:53] Warning: molecule is tagged as 3D, but all Z coords are zero\n",
-      "RDKit WARNING: [19:54:53] Warning: molecule is tagged as 3D, but all Z coords are zero\n",
-      "RDKit WARNING: [19:54:53] Warning: molecule is tagged as 3D, but all Z coords are zero\n",
-      "RDKit WARNING: [19:54:53] Warning: molecule is tagged as 3D, but all Z coords are zero\n"
+      "RDKit WARNING: [13:20:36] Warning: molecule is tagged as 3D, but all Z coords are zero\n",
+      "RDKit WARNING: [13:20:37] Warning: molecule is tagged as 3D, but all Z coords are zero\n",
+      "RDKit WARNING: [13:20:37] Warning: molecule is tagged as 3D, but all Z coords are zero\n",
+      "RDKit WARNING: [13:20:37] Warning: molecule is tagged as 3D, but all Z coords are zero\n",
+      "RDKit WARNING: [13:20:37] Warning: molecule is tagged as 3D, but all Z coords are zero\n",
+      "RDKit WARNING: [13:20:37] Warning: molecule is tagged as 3D, but all Z coords are zero\n",
+      "RDKit WARNING: [13:20:37] Warning: molecule is tagged as 3D, but all Z coords are zero\n",
+      "RDKit WARNING: [13:20:37] Warning: molecule is tagged as 3D, but all Z coords are zero\n"
      ]
     }
    ],
@@ -1547,7 +1568,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 63,
+   "execution_count": 74,
    "id": "258f593c-1cba-45cb-936e-8c1360075926",
    "metadata": {},
    "outputs": [],
@@ -1557,7 +1578,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 66,
+   "execution_count": 75,
    "id": "ee3fa0bc-9ad3-4ea7-9393-cbc7504f634c",
    "metadata": {},
    "outputs": [],
@@ -1568,10 +1589,12 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "b068dbaa-6d77-402d-ab9b-fb4f266dc854",
+   "id": "5c12fedc-4236-4587-a744-c0c9ec21ceaa",
    "metadata": {},
    "outputs": [],
-   "source": []
+   "source": [
+    "l"
+   ]
   }
  ],
  "metadata": {