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jglaser/binding_affinity

Viewer • Updated Mar 12, 2022 • 3.67M • 1.15k • 20

jglaser/protein_ligand_contacts

Viewer • Updated Mar 15, 2022 • 20.8k • 33 • 6

jglaser/pdbbind_complexes

Viewer • Updated May 14, 2022 • 16.1k • 46 • 1

jglaser/pdb_protein_ligand_complexes

Updated Oct 13, 2022 • 188 • 7

sagawa/pubchem-10m-canonicalized

Viewer • Updated Sep 4, 2022 • 10M • 24 • 6

sagawa/ZINC-canonicalized

Viewer • Updated Sep 4, 2022 • 23M • 209

djh992/pdbbind_complex_GB2022

Viewer • Updated Feb 20, 2023 • 14.9k • 21 • 1

BASF-AI/PubChemSMILESCanonDescPC

Viewer • Updated Sep 23, 2024 • 2.05k • 5

BASF-AI/PubChemSMILESCanonTitlePC

Viewer • Updated Sep 23, 2024 • 2.05k • 18

BASF-AI/PubChemSMILESIsoTitlePC

Viewer • Updated Sep 23, 2024 • 2.05k • 23

BASF-AI/CoconutSMILES2FormulaPC

Viewer • Updated Oct 4, 2024 • 4k • 21

BASF-AI/CoconutSmiles2NameBitextMining

Viewer • Updated Sep 26, 2024 • 622k • 12 • 1

BASF-AI/CoconutSMILES2FormulaBM

Viewer • Updated Oct 3, 2024 • 4k • 8

BASF-AI/CoconutSmiles2NameBitextMining2

Viewer • Updated Sep 26, 2024 • 5k • 4

molssiai-hub/pubchem-07-23-2024

Updated Jul 22, 2025 • 13 • 1

BASF-AI/PubChemSMILESIsoTitleBM

Viewer • Updated Sep 23, 2024 • 7.07k • 3

BASF-AI/PubChemSMILESIsoDescBM

Viewer • Updated Sep 23, 2024 • 7.07k • 19

BASF-AI/PubChemSMILESCanonTitleBM

Viewer • Updated Sep 23, 2024 • 15.5k • 3

BASF-AI/PubChemSMILESCanonDescBM

Viewer • Updated Sep 23, 2024 • 15.5k • 20

scbirlab/lyu-wang-balius-singh-2019-ampc

Viewer • Updated Oct 7, 2024 • 96.2M • 52

scbirlab/lyu-wang-balius-singh-2019-d4

Viewer • Updated Oct 7, 2024 • 116M • 9

molssiai-hub/pubchem-10-15-2024

Updated Jul 22, 2025 • 36

molssiai-hub/pubchem-10-15-2024-selfies

Updated Jul 22, 2025 • 36

scbirlab/cyc-pep-6-12mer-70M-2024

Viewer • Updated Nov 1, 2024 • 125M • 300

scbirlab/steshin-2023-lohi

Viewer • Updated Oct 31, 2024 • 119k • 383

scbirlab/fang-2023-biogen-adme

Viewer • Updated Dec 16, 2025 • 7.04k • 35

scbirlab/cyc-pep-6-12mer-650M-2024

Viewer • Updated Nov 4, 2024 • 1.2B • 23 • 1

scbirlab/hudson-2023-dosedo

Viewer • Updated Dec 30, 2024 • 7.45M • 8

karina-zadorozhny/M320M

Viewer • Updated Feb 26, 2025 • 21.5M • 118 • 1

molssiai-hub/pubchem-02-21-2025

Updated Jul 22, 2025 • 62