Add freesolv-multimodal config via script

README.md

@@ -1122,6 +1122,56 @@ dataset_info:
     num_examples: 34280
   download_size: 221715542
   dataset_size: 4087966108.7999997
+- config_name: freesolv-multimodal
+  features:
+  - name: IMAGE
+    dtype: image
+  - name: template
+    dtype: string
+  - name: template_original
+    dtype: string
+  - name: SMILES
+    dtype: string
+  - name: SMILES_ORIGINAL
+    dtype: string
+  - name: SELFIES
+    dtype: string
+  - name: InChI
+    dtype: string
+  - name: IUPAC
+    dtype: string
+  - name: split
+    dtype: string
+  - name: compound_id
+    dtype: string
+  - name: iupac_name
+    dtype: string
+  - name: exp_value
+    dtype: float64
+  - name: exp_uncertainty
+    dtype: float64
+  - name: GAFF
+    dtype: float64
+  - name: calc_uncertainty
+    dtype: float64
+  - name: exp_ref
+    dtype: string
+  - name: calc_reference
+    dtype: string
+  - name: notes
+    dtype: string
+  splits:
+  - name: train
+    num_bytes: 254956127.48
+    num_examples: 19104
+  - name: test
+    num_bytes: 15934825.4
+    num_examples: 1120
+  - name: validation
+    num_bytes: 2882296.0
+    num_examples: 256
+  download_size: 12181757
+  dataset_size: 273773248.88
 - config_name: half_life_obach-multimodal
   features:
   - name: IMAGE
@@ -2559,6 +2609,14 @@ configs:
     path: cyp_p450_3a4_inhibition_veith_et_al-multimodal/train-*
   - split: validation
     path: cyp_p450_3a4_inhibition_veith_et_al-multimodal/validation-*
+- config_name: freesolv-multimodal
+  data_files:
+  - split: train
+    path: freesolv-multimodal/train-*
+  - split: test
+    path: freesolv-multimodal/test-*
+  - split: validation
+    path: freesolv-multimodal/validation-*
 - config_name: half_life_obach-multimodal
   data_files:
   - split: train

freesolv-multimodal/test-00000-of-00001.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:d042b90c9b887207ef099a4f17372c85435dcb0e8465a0c0ca7c11e01770dd1c
+size 697626

freesolv-multimodal/train-00000-of-00001.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:abdaef882887968835eebc56749b7bea395f9d37e69aafd6fbaca9bb88293096
+size 11361383

freesolv-multimodal/validation-00000-of-00001.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:9b44c11fb35dd87a56be5032af4027e14b303b9d4d22ecf560d8e2d27c0509aa
+size 122748