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zpn/zinc20

Preview • Updated Jan 6, 2023 • 921 • 12

alxfgh/PubChem10M_SELFIES

Viewer • Updated May 6, 2023 • 10M • 58

alxfgh/PubChem10M_SELFIES_Tokenized

Viewer • Updated Apr 30, 2023 • 4.99M • 20

pvrancx/tyk2_fep

Viewer • Updated Dec 30, 2023 • 10k • 12

Derify/augmented_canonical_pubchem_13m

Viewer • Updated Feb 22 • 13.3M • 35

Derify/augmented_canonical_druglike_QED_43M

Viewer • Updated 21 days ago • 42.8M • 77

Derify/safe_druglike_QED_33M

Viewer • Updated Feb 24 • 33.6M • 23

Derify/safe_pubchem_10m

Viewer • Updated Feb 24 • 10.2M • 27

karina-zadorozhny/ATOMICA

Viewer • Updated Apr 28 • 343k • 404

jablonkagroup/chempile-mlift

Viewer • Updated about 1 month ago • 61.6M • 8.84k • 6

ChemFM/MolLangBench

Viewer • Updated May 27 • 33.2k • 235

jablonkagroup/chempile-lift-merged

Viewer • Updated about 1 month ago • 264M • 3.17k • 3

Derify/pubchem_10m_genmol_similarity

Viewer • Updated about 1 hour ago • 21.1M • 43

futurehouse/ether0-benchmark

Viewer • Updated about 1 month ago • 325 • 1.19k • 12

Derify/druglike

Viewer • Updated 21 days ago • 72M • 123