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zpn/zinc20

Preview • Updated Jan 6, 2023 • 1.06k • 12

alxfgh/PubChem10M_SELFIES

Viewer • Updated May 6, 2023 • 10M • 53

alxfgh/PubChem10M_SELFIES_Tokenized

Viewer • Updated Apr 30, 2023 • 4.99M • 12

pvrancx/tyk2_fep

Viewer • Updated Dec 30, 2023 • 10k • 15

Derify/augmented_canonical_pubchem_13m

Viewer • Updated 7 days ago • 13.3M • 152

Derify/augmented_canonical_druglike_QED_43M

Viewer • Updated 7 days ago • 42.8M • 66

Derify/safe_druglike_QED_33M

Viewer • Updated Feb 24 • 33.6M • 29

Derify/safe_pubchem_10m

Viewer • Updated Feb 24 • 10.2M • 31

karina-zadorozhny/ATOMICA

Viewer • Updated Apr 28 • 343k • 205

jablonkagroup/chempile-mlift

Viewer • Updated Jul 27 • 51.5M • 2.85k • 7

ChemFM/MolLangBench

Viewer • Updated Jul 31 • 33.3k • 49

jablonkagroup/chempile-lift

Viewer • Updated Jul 26 • 176M • 2.71k • 4

Derify/pubchem_10m_genmol_similarity

Viewer • Updated 7 days ago • 21M • 188

futurehouse/ether0-benchmark

Viewer • Updated Jun 24 • 325 • 725 • 13

Derify/druglike

Viewer • Updated 7 days ago • 72M • 76

molport/In-stock-Database

Viewer • Updated 13 days ago • 5.88M • 139

molport/In-stock-Building-Block-Database

Viewer • Updated 13 days ago • 856k • 149

molport/In-stock-Screening-Compound-Database

Viewer • Updated 13 days ago • 5.29M • 160

Derify/msr-acc-tae25-regression

Viewer • Updated 15 days ago • 76.4k • 142

Derify/augmented_canonical_druglike_QED_Pfizer_15M

Viewer • Updated 7 days ago • 15.4M • 153

molport/Drug-like-Compound-Library

Viewer • Updated 8 days ago • 2.14M • 22