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zpn/zinc20

Preview • Updated Jan 6, 2023 • 210 • 12

alxfgh/PubChem10M_SELFIES

Viewer • Updated May 6, 2023 • 10M • 85

alxfgh/PubChem10M_SELFIES_Tokenized

Viewer • Updated Apr 30, 2023 • 4.99M • 17

pvrancx/tyk2_fep

Viewer • Updated Dec 30, 2023 • 10k • 18

Derify/augmented_canonical_pubchem_13m

Viewer • Updated Feb 22 • 13.3M • 69

Derify/augmented_canonical_druglike_QED_43M

Viewer • Updated Jul 3 • 42.8M • 18

Derify/safe_druglike_QED_33M

Viewer • Updated Feb 24 • 33.6M • 18

Derify/safe_pubchem_10m

Viewer • Updated Feb 24 • 10.2M • 26

karina-zadorozhny/ATOMICA

Viewer • Updated Apr 28 • 343k • 336

jablonkagroup/chempile-mlift

Viewer • Updated 21 days ago • 51.5M • 5.61k • 7

ChemFM/MolLangBench

Viewer • Updated 17 days ago • 33.3k • 360

jablonkagroup/chempile-lift

Viewer • Updated 22 days ago • 176M • 3.05k • 4

Derify/pubchem_10m_genmol_similarity

Viewer • Updated 24 days ago • 21.1M • 93

futurehouse/ether0-benchmark

Viewer • Updated Jun 24 • 325 • 955 • 12

Derify/druglike

Viewer • Updated Jul 3 • 72M • 32

molport/Full-In-stock-Database

Updated 2 days ago