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jglaser/binding_affinity

Viewer • Updated Mar 12, 2022 • 3.67M • 1.37k • 14

djh992/pdbbind_complex_GB2022

Viewer • Updated Feb 20, 2023 • 14.9k • 82 • 1

jglaser/protein_ligand_contacts

Viewer • Updated Mar 15, 2022 • 20.8k • 61 • 6

jglaser/pdbbind_complexes

Viewer • Updated May 14, 2022 • 16.1k • 79

jglaser/pdb_protein_ligand_complexes

Updated Oct 13, 2022 • 122 • 5

sagawa/pubchem-10m-canonicalized

Viewer • Updated Sep 4, 2022 • 10M • 98 • 1

sagawa/ZINC-canonicalized

Viewer • Updated Sep 4, 2022 • 23M • 61

BASF-AI/PubChemSMILESCanonDescPC

Viewer • Updated Sep 23 • 2.05k • 34

BASF-AI/PubChemSMILESCanonTitlePC

Viewer • Updated Sep 23 • 2.05k • 43

BASF-AI/PubChemSMILESIsoTitlePC

Viewer • Updated Sep 23 • 2.05k • 57

BASF-AI/CoconutSMILES2FormulaPC

Viewer • Updated Oct 4 • 4k • 39

BASF-AI/CoconutSmiles2NameBitextMining

Viewer • Updated Sep 26 • 622k • 50

BASF-AI/CoconutSMILES2FormulaBM

Viewer • Updated Oct 3 • 4k • 39

BASF-AI/CoconutSmiles2NameBitextMining2

Viewer • Updated Sep 26 • 5k • 39

molssiai-hub/pubchem-07-23-2024

Updated Aug 30 • 49 • 1

BASF-AI/PubChemSMILESIsoTitleBM

Viewer • Updated Sep 23 • 7.07k • 37

BASF-AI/PubChemSMILESIsoDescBM

Viewer • Updated Sep 23 • 7.07k • 40

BASF-AI/PubChemSMILESCanonTitleBM

Viewer • Updated Sep 23 • 15.5k • 27

BASF-AI/PubChemSMILESCanonDescBM

Viewer • Updated Sep 23 • 15.5k • 43

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

Viewer • Updated Oct 7 • 96.2M • 32

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

Viewer • Updated Oct 7 • 116M • 68

molssiai-hub/pubchem-10-15-2024

Updated Oct 16 • 99

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

Viewer • Updated 20 days ago • 125M • 40

scbirlab/steshin-2023-lohi

Viewer • Updated 21 days ago • 119k • 24

scbirlab/fang-2023-biogen-adme

Viewer • Updated 21 days ago • 7.04k • 23

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

Viewer • Updated 17 days ago • 1.2B • 85