Datasets:
Languages:
English
Size:
10M - 100M
ArXiv:
Tags:
chemistry
scientific-language-interfaced-data
multimodality-data
molecular-imaging
tabular-data
chemistry-mlift
License:
Add clearance_astrazeneca-multimodal config via script
Browse files
README.md
CHANGED
|
@@ -422,6 +422,42 @@ dataset_info:
|
|
| 422 |
num_examples: 330
|
| 423 |
download_size: 511908414
|
| 424 |
dataset_size: 4601889843.3
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 425 |
- config_name: clintox-multimodal
|
| 426 |
features:
|
| 427 |
- name: IMAGE
|
|
@@ -953,6 +989,14 @@ configs:
|
|
| 953 |
path: chebi_20-multimodal/validation-*
|
| 954 |
- split: test
|
| 955 |
path: chebi_20-multimodal/test-*
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 956 |
- config_name: clintox-multimodal
|
| 957 |
data_files:
|
| 958 |
- split: train
|
|
|
|
| 422 |
num_examples: 330
|
| 423 |
download_size: 511908414
|
| 424 |
dataset_size: 4601889843.3
|
| 425 |
+
- config_name: clearance_astrazeneca-multimodal
|
| 426 |
+
features:
|
| 427 |
+
- name: IMAGE
|
| 428 |
+
dtype: image
|
| 429 |
+
- name: template
|
| 430 |
+
dtype: string
|
| 431 |
+
- name: template_original
|
| 432 |
+
dtype: string
|
| 433 |
+
- name: SMILES
|
| 434 |
+
dtype: string
|
| 435 |
+
- name: SMILES_ORIGINAL
|
| 436 |
+
dtype: string
|
| 437 |
+
- name: SELFIES
|
| 438 |
+
dtype: string
|
| 439 |
+
- name: InChI
|
| 440 |
+
dtype: string
|
| 441 |
+
- name: IUPAC
|
| 442 |
+
dtype: string
|
| 443 |
+
- name: split
|
| 444 |
+
dtype: string
|
| 445 |
+
- name: chembl_id
|
| 446 |
+
dtype: string
|
| 447 |
+
- name: drug_clearance
|
| 448 |
+
dtype: float64
|
| 449 |
+
splits:
|
| 450 |
+
- name: train
|
| 451 |
+
num_bytes: 56737414.75
|
| 452 |
+
num_examples: 4225
|
| 453 |
+
- name: test
|
| 454 |
+
num_bytes: 11558351.0
|
| 455 |
+
num_examples: 830
|
| 456 |
+
- name: validation
|
| 457 |
+
num_bytes: 12727154.0
|
| 458 |
+
num_examples: 865
|
| 459 |
+
download_size: 15845232
|
| 460 |
+
dataset_size: 81022919.75
|
| 461 |
- config_name: clintox-multimodal
|
| 462 |
features:
|
| 463 |
- name: IMAGE
|
|
|
|
| 989 |
path: chebi_20-multimodal/validation-*
|
| 990 |
- split: test
|
| 991 |
path: chebi_20-multimodal/test-*
|
| 992 |
+
- config_name: clearance_astrazeneca-multimodal
|
| 993 |
+
data_files:
|
| 994 |
+
- split: train
|
| 995 |
+
path: clearance_astrazeneca-multimodal/train-*
|
| 996 |
+
- split: test
|
| 997 |
+
path: clearance_astrazeneca-multimodal/test-*
|
| 998 |
+
- split: validation
|
| 999 |
+
path: clearance_astrazeneca-multimodal/validation-*
|
| 1000 |
- config_name: clintox-multimodal
|
| 1001 |
data_files:
|
| 1002 |
- split: train
|
clearance_astrazeneca-multimodal/test-00000-of-00001.parquet
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:8c5daa6864c44fd2d72d091c9445f34ab1e193610f680524a287204bec7d6966
|
| 3 |
+
size 2267562
|
clearance_astrazeneca-multimodal/train-00000-of-00001.parquet
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:c444083ef714fd436fc4a0688828bac040d20bd93db43dc9f21798cc700651a1
|
| 3 |
+
size 11153401
|
clearance_astrazeneca-multimodal/validation-00000-of-00001.parquet
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:07d191680cf178a6cbcba6701b04e3f6e05605aeeddbaa5f502fbd95d396efcb
|
| 3 |
+
size 2424269
|