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Active filters: drug-discovery

tlemenestrel/Smiles2Dock

Viewer • Updated 12 days ago • 17.9M • 253

liuganghuggingface/Llamole-MolQA

Viewer • Updated Oct 10, 2024 • 128k • 22

vmsavla/ro4_vs_d2

Viewer • Updated Apr 23 • 15.5M • 7

jablonkagroup/chempile-mlift

Viewer • Updated Jul 27 • 51.5M • 2.14k • 7

jablonkagroup/chempile-lift

Viewer • Updated Jul 26 • 176M • 3.01k • 4

oxai4science/sagan-mc

Viewer • Updated May 27 • 423k • 43 • 2

photonmz/pdbbindpp-2020

Updated May 26 • 4

DeepYoke/ToxiMol-benchmark

Viewer • Updated Jun 15 • 560 • 1.35k • 1

Derify/pubchem_10m_genmol_similarity

Viewer • Updated 9 days ago • 21.1M • 144

FuhaiLiAiLab/BioMedGraphica

Preview • Updated Jul 18 • 40

summykai/chembench-rlvr-test

Viewer • Updated Jul 30 • 7k • 91

summykai/chembench-rlvr-test2

Viewer • Updated Jul 31 • 10.4k • 72

summykai/chembench-rlvr-test3

Viewer • Updated Jul 31 • 16.7k • 82

summykai/chembench-rlvr-test4

Viewer • Updated Jul 31 • 16.7k • 75

summykai/chembench-rlvr-test5

Viewer • Updated 25 days ago • 16.7k • 105

molport/In-stock-Screening-Compound-Database

Viewer • Updated 15 days ago • 5.18M • 107