Datasets:
Languages:
English
Size:
10M - 100M
ArXiv:
Tags:
chemistry
scientific-language-interfaced-data
multimodality-data
molecular-imaging
tabular-data
chemistry-mlift
License:
Add ld50_zhu-multimodal config via script
Browse files- README.md +44 -0
- ld50_zhu-multimodal/test-00000-of-00002.parquet +3 -0
- ld50_zhu-multimodal/test-00001-of-00002.parquet +3 -0
- ld50_zhu-multimodal/train-00000-of-00003.parquet +3 -0
- ld50_zhu-multimodal/train-00001-of-00003.parquet +3 -0
- ld50_zhu-multimodal/train-00002-of-00003.parquet +3 -0
- ld50_zhu-multimodal/validation-00000-of-00001.parquet +3 -0
README.md
CHANGED
@@ -1404,6 +1404,42 @@ dataset_info:
|
|
1404 |
num_examples: 357
|
1405 |
download_size: 110718808
|
1406 |
dataset_size: 732396836.15
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
1407 |
- config_name: m1_muscarinic_receptor_agonists_butkiewicz-multimodal
|
1408 |
features:
|
1409 |
- name: IMAGE
|
@@ -2665,6 +2701,14 @@ configs:
|
|
2665 |
path: ld50_catmos-multimodal/test-*
|
2666 |
- split: validation
|
2667 |
path: ld50_catmos-multimodal/validation-*
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
2668 |
- config_name: m1_muscarinic_receptor_agonists_butkiewicz-multimodal
|
2669 |
data_files:
|
2670 |
- split: train
|
|
|
1404 |
num_examples: 357
|
1405 |
download_size: 110718808
|
1406 |
dataset_size: 732396836.15
|
1407 |
+
- config_name: ld50_zhu-multimodal
|
1408 |
+
features:
|
1409 |
+
- name: IMAGE
|
1410 |
+
dtype: image
|
1411 |
+
- name: template
|
1412 |
+
dtype: string
|
1413 |
+
- name: template_original
|
1414 |
+
dtype: string
|
1415 |
+
- name: SMILES
|
1416 |
+
dtype: string
|
1417 |
+
- name: SMILES_ORIGINAL
|
1418 |
+
dtype: string
|
1419 |
+
- name: SELFIES
|
1420 |
+
dtype: string
|
1421 |
+
- name: InChI
|
1422 |
+
dtype: string
|
1423 |
+
- name: IUPAC
|
1424 |
+
dtype: string
|
1425 |
+
- name: split
|
1426 |
+
dtype: string
|
1427 |
+
- name: compound_name
|
1428 |
+
dtype: string
|
1429 |
+
- name: acute_toxicity
|
1430 |
+
dtype: float64
|
1431 |
+
splits:
|
1432 |
+
- name: train
|
1433 |
+
num_bytes: 1314009213.77
|
1434 |
+
num_examples: 87571
|
1435 |
+
- name: test
|
1436 |
+
num_bytes: 647526101.93
|
1437 |
+
num_examples: 41439
|
1438 |
+
- name: validation
|
1439 |
+
num_bytes: 179950770.98
|
1440 |
+
num_examples: 10754
|
1441 |
+
download_size: 142543278
|
1442 |
+
dataset_size: 2141486086.6799998
|
1443 |
- config_name: m1_muscarinic_receptor_agonists_butkiewicz-multimodal
|
1444 |
features:
|
1445 |
- name: IMAGE
|
|
|
2701 |
path: ld50_catmos-multimodal/test-*
|
2702 |
- split: validation
|
2703 |
path: ld50_catmos-multimodal/validation-*
|
2704 |
+
- config_name: ld50_zhu-multimodal
|
2705 |
+
data_files:
|
2706 |
+
- split: train
|
2707 |
+
path: ld50_zhu-multimodal/train-*
|
2708 |
+
- split: test
|
2709 |
+
path: ld50_zhu-multimodal/test-*
|
2710 |
+
- split: validation
|
2711 |
+
path: ld50_zhu-multimodal/validation-*
|
2712 |
- config_name: m1_muscarinic_receptor_agonists_butkiewicz-multimodal
|
2713 |
data_files:
|
2714 |
- split: train
|
ld50_zhu-multimodal/test-00000-of-00002.parquet
ADDED
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
1 |
+
version https://git-lfs.github.com/spec/v1
|
2 |
+
oid sha256:c14dc11fb1b5f3e3aa05da0ee7a21954567927bda7c11585bda227c193c91174
|
3 |
+
size 21233033
|
ld50_zhu-multimodal/test-00001-of-00002.parquet
ADDED
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
1 |
+
version https://git-lfs.github.com/spec/v1
|
2 |
+
oid sha256:2aa540b318905fa63052e627621eb262dc6436c45e92770f42b118e16e1882aa
|
3 |
+
size 21756796
|
ld50_zhu-multimodal/train-00000-of-00003.parquet
ADDED
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
1 |
+
version https://git-lfs.github.com/spec/v1
|
2 |
+
oid sha256:597c3e74381639dd794f3d91f74a919de6d813aff806d56ac533857d056b6930
|
3 |
+
size 28080586
|
ld50_zhu-multimodal/train-00001-of-00003.parquet
ADDED
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
1 |
+
version https://git-lfs.github.com/spec/v1
|
2 |
+
oid sha256:263c9d2b205dce4e5e7516fb171a6c4b1d449bde797a3ce7cdd6ce6934c3cb41
|
3 |
+
size 30116277
|
ld50_zhu-multimodal/train-00002-of-00003.parquet
ADDED
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
1 |
+
version https://git-lfs.github.com/spec/v1
|
2 |
+
oid sha256:d5e5a657c320ea73d56c20e82540f77c61de3a93fefeab7b9c179757e6078ce2
|
3 |
+
size 29482862
|
ld50_zhu-multimodal/validation-00000-of-00001.parquet
ADDED
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
1 |
+
version https://git-lfs.github.com/spec/v1
|
2 |
+
oid sha256:d5cbe0a8705e97aa0891af2fc472f356165b33e848512517576ffacfbb39bc16
|
3 |
+
size 11873724
|