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zpn/zinc20

Preview • Updated Jan 6, 2023 • 885 • 14

alxfgh/PubChem10M_SELFIES

Viewer • Updated May 6, 2023 • 10M • 45

alxfgh/PubChem10M_SELFIES_Tokenized

Viewer • Updated Apr 30, 2023 • 4.99M • 51

pvrancx/tyk2_fep

Viewer • Updated Dec 30, 2023 • 10k • 11

Derify/augmented_canonical_pubchem_13m

Viewer • Updated Sep 9 • 13.3M • 29

Derify/augmented_canonical_druglike_QED_43M

Viewer • Updated Sep 9 • 42.8M • 61

Derify/safe_druglike_QED_33M

Viewer • Updated Feb 24 • 33.6M • 37

Derify/safe_pubchem_10m

Viewer • Updated Feb 24 • 10.2M • 59

karina-zadorozhny/ATOMICA

Viewer • Updated Apr 28 • 343k • 65

jablonkagroup/chempile-mlift

Viewer • Updated Jul 27 • 51.5M • 4.2k • 9

ChemFM/MolLangBench

Viewer • Updated Sep 24 • 33.6k • 87 • 1

jablonkagroup/chempile-lift

Viewer • Updated Jul 26 • 176M • 1.16k • 6

Derify/pubchem_10m_genmol_similarity

Viewer • Updated Sep 9 • 21M • 193

futurehouse/ether0-benchmark

Viewer • Updated Jun 24 • 325 • 273 • 13

Derify/druglike

Viewer • Updated Sep 9 • 72M • 31

molport/In-stock-Database

Viewer • Updated Oct 1 • 5.91M • 81

molport/In-stock-Building-Block-Database

Viewer • Updated Oct 1 • 858k • 9 • 1

molport/In-stock-Screening-Compound-Database

Viewer • Updated Oct 1 • 5.32M • 64 • 1

Derify/msr-acc-tae25-regression

Viewer • Updated Sep 1 • 76.4k • 6

Derify/augmented_canonical_druglike_QED_Pfizer_15M

Viewer • Updated Sep 9 • 15.4M • 23

molport/Drug-like-Compound-Library

Viewer • Updated Sep 8 • 2.14M • 8

Derify/antimalarial-classification

Viewer • Updated Sep 26 • 4.79k • 9

Derify/cocrystal-classification

Viewer • Updated Sep 26 • 1.48k • 22

Derify/covid-19-classification

Viewer • Updated Sep 26 • 2.6k • 21

gbyuvd/chemq3-molsim-sft-smiles

Viewer • Updated 9 days ago • 777k • 13