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jglaser/binding_affinity

Viewer • Updated Mar 12, 2022 • 3.67M • 2.52k • 19

jglaser/protein_ligand_contacts

Viewer • Updated Mar 15, 2022 • 20.8k • 82 • 6

jglaser/pdbbind_complexes

Viewer • Updated May 14, 2022 • 16.1k • 75 • 1

jglaser/pdb_protein_ligand_complexes

Updated Oct 13, 2022 • 231 • 7

djh992/pdbbind_complex_GB2022

Viewer • Updated Feb 20, 2023 • 14.9k • 174 • 1

alxfgh/PubChem10M_SELFIES

Viewer • Updated May 6, 2023 • 10M • 184 • 1

alxfgh/PubChem10M_SELFIES_Tokenized

Viewer • Updated Apr 30, 2023 • 4.99M • 15 • 2

datamol-io/safe-gpt

Viewer • Updated 1 day ago • 1.17B • 1.23k • 3

molvision/BACE-V-SMILES-2

Viewer • Updated Sep 29, 2025 • 303 • 82

molport/In-stock-Database

Viewer • Updated 28 days ago • 5.89M • 105

molport/In-stock-Building-Block-Database

Viewer • Updated 28 days ago • 870k • 43 • 1

molport/In-stock-Screening-Compound-Database

Viewer • Updated 28 days ago • 5.28M • 49 • 1

molport/Drug-like-Compound-Library

Viewer • Updated Sep 8, 2025 • 2.14M • 4

molvision/BBBP-V-SMILES-2

Viewer • Updated Oct 19, 2025 • 410 • 8

molvision/BACE-V-SMILES-4

Viewer • Updated Sep 29, 2025 • 303 • 11

molvision/BBBP-V-SMILES-4

Viewer • Updated Oct 22, 2025 • 410 • 34

molvision/CLINTOX-V-SMILES-2

Viewer • Updated Oct 22, 2025 • 298 • 8

molvision/CLINTOX-V-SMILES-4

Viewer • Updated Oct 22, 2025 • 298 • 11

Derify/antimalarial-classification

Viewer • Updated Sep 26, 2025 • 4.79k • 28

Derify/cocrystal-classification

Viewer • Updated Sep 26, 2025 • 1.48k • 45

Derify/covid-19-classification

Viewer • Updated Sep 26, 2025 • 2.6k • 14

molvision/TOX21-V-SMILES-2

Viewer • Updated Oct 22, 2025 • 1.56k • 11

molvision/TOX21-V-SMILES-4

Viewer • Updated Oct 22, 2025 • 1.56k • 14

molvision/ESOL-V-SMILES-2

Viewer • Updated Oct 22, 2025 • 220 • 37

molvision/ESOL-V-SMILES-4

Viewer • Updated Oct 22, 2025 • 220 • 11

molvision/ESOL-V-SMILES-0

Viewer • Updated Oct 22, 2025 • 220 • 17

gbyuvd/chemq3-molsim-sft-smiles

Viewer • Updated Oct 23, 2025 • 777k • 1

molvision/BBBP-V-Train

Viewer • Updated Oct 21, 2025 • 1.63k • 3

molvision/BACE-V-Train

Viewer • Updated Oct 21, 2025 • 1.21k • 13

molvision/Clintox-V-Train

Viewer • Updated Oct 21, 2025 • 1.04k • 6