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Datasets

9
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Active filters: molecules

jglaser/binding_affinity

Viewer • Updated Mar 12, 2022 • 3.67M • 780 • 16

jglaser/protein_ligand_contacts

Viewer • Updated Mar 15, 2022 • 20.8k • 81 • 6

jglaser/pdbbind_complexes

Viewer • Updated May 14, 2022 • 16.1k • 58 • 1

jglaser/pdb_protein_ligand_complexes

Updated Oct 13, 2022 • 211 • 6

djh992/pdbbind_complex_GB2022

Viewer • Updated Feb 20, 2023 • 14.9k • 50 • 1

alxfgh/PubChem10M_SELFIES

Viewer • Updated May 6, 2023 • 10M • 175

alxfgh/PubChem10M_SELFIES_Tokenized

Viewer • Updated Apr 30, 2023 • 4.99M • 10

Derify/pubchem_10m_genmol_similarity

Viewer • Updated 8 days ago • 19.5M • 112

Gatescrispy/Largest_therapeutic_molecule_dataset_with_1.4M_compounds_for_scientific_research

Updated 5 days ago • 97
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