jglaser/binding_affinity
Viewer
•
Updated
•
3.67M
•
3.83k
•
19
Edit Datasets filters
Active filters:
molecules
alxfgh/PubChem10M_SELFIES
Viewer
•
Updated
•
10M
•
294
•
1
alxfgh/PubChem10M_SELFIES_Tokenized
Viewer
•
Updated
•
4.99M
•
42
•
1
jglaser/protein_ligand_contacts
Viewer
•
Updated
•
20.8k
•
161
•
6
jglaser/pdbbind_complexes
Viewer
•
Updated
•
16.1k
•
152
•
1
jglaser/pdb_protein_ligand_complexes
Updated
•
328
•
7
djh992/pdbbind_complex_GB2022
Viewer
•
Updated
•
14.9k
•
238
•
1
molvision/BACE-V-SMILES-2
Viewer
•
Updated
•
303
•
74
molport/In-stock-Database
Viewer
•
Updated
•
5.89M
•
91
molport/In-stock-Building-Block-Database
Viewer
•
Updated
•
870k
•
43
•
1
molport/In-stock-Screening-Compound-Database
Viewer
•
Updated
•
5.28M
•
56
•
1
molport/Drug-like-Compound-Library
Viewer
•
Updated
•
2.14M
•
6
molvision/BBBP-V-SMILES-2
Viewer
•
Updated
•
410
•
21
molvision/BACE-V-SMILES-4
Viewer
•
Updated
•
303
•
15
molvision/BBBP-V-SMILES-4
Viewer
•
Updated
•
410
•
32
molvision/CLINTOX-V-SMILES-2
Viewer
•
Updated
•
298
•
12
molvision/CLINTOX-V-SMILES-4
Viewer
•
Updated
•
298
•
18
Derify/antimalarial-classification
Viewer
•
Updated
•
4.79k
•
24
Derify/cocrystal-classification
Viewer
•
Updated
•
1.48k
•
56
Derify/covid-19-classification
Viewer
•
Updated
•
2.6k
•
18
molvision/TOX21-V-SMILES-2
Viewer
•
Updated
•
1.56k
•
13
molvision/TOX21-V-SMILES-4
Viewer
•
Updated
•
1.56k
•
18
molvision/ESOL-V-SMILES-2
Viewer
•
Updated
•
220
•
10
molvision/ESOL-V-SMILES-4
Viewer
•
Updated
•
220
•
16
molvision/ESOL-V-SMILES-0
Viewer
•
Updated
•
220
•
21
gbyuvd/chemq3-molsim-sft-smiles
Viewer
•
Updated
•
777k
•
9
molvision/BBBP-V-Train
Viewer
•
Updated
•
1.63k
•
8
molvision/BACE-V-Train
Viewer
•
Updated
•
1.21k
•
14
molvision/Clintox-V-Train
Viewer
•
Updated
•
1.04k
•
6
molvision/Tox21-V-Train
Viewer
•
Updated
•
6.16k
•
7