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oxai4science/sagan-mc

Viewer • Updated May 27 • 423k • 205 • 5

eve-bio/drug-target-activity

Viewer • Updated about 6 hours ago • 387k • 12 • 2

tlemenestrel/Smiles2Dock

Viewer • Updated Aug 21 • 17.9M • 63

gbyuvd/coconut-chembl34-selfies-mlm

Viewer • Updated Sep 6 • 270k • 25

gbyuvd/coconut-chembl34-mol-sim

Viewer • Updated Sep 6 • 1.17M • 12

gbyuvd/chembl34-hs221-drugtarget

Viewer • Updated Sep 6 • 221k • 6 • 1

liuganghuggingface/Llamole-MolQA

Viewer • Updated Oct 10, 2024 • 128k • 53

Metanova/SAVI-2020

Updated Sep 23 • 2.5k • 2

vmsavla/ro4_vs_d2

Viewer • Updated Apr 23 • 15.5M • 3

jablonkagroup/chempile-mlift

Viewer • Updated Jul 27 • 51.5M • 3.83k • 9

jablonkagroup/chempile-lift

Viewer • Updated Jul 26 • 176M • 1.13k • 6

photonmz/pdbbindpp-2020

Updated May 26 • 8

DeepYoke/ToxiMol-benchmark

Viewer • Updated Jun 15 • 560 • 703 • 2

Derify/pubchem_10m_genmol_similarity

Viewer • Updated Sep 9 • 21M • 116

FuhaiLiAiLab/BioMedGraphica

Viewer • Updated 24 days ago • 835k • 222

summykai/chem-rlvr-TEST

Viewer • Updated Jul 30 • 7k • 43

summykai/chem-rlvr-TEST-2

Viewer • Updated Jul 31 • 10.4k • 32

summykai/chem-rlvr-TEST-3

Viewer • Updated Jul 31 • 16.7k • 15

summykai/chem-rlvr-TEST-4

Viewer • Updated Jul 31 • 16.7k • 83

summykai/chem-rlvr-TEST-5

Viewer • Updated Aug 9 • 16.7k • 60

molport/In-stock-Screening-Compound-Database

Viewer • Updated 26 days ago • 5.32M • 62 • 1

Y-Tarl/BioGraphFusion

Viewer • Updated Sep 22 • 156k • 35

hugging-science/awesome-food-allergy-datasets

Viewer • Updated 12 days ago • 72 • 321 • 4

gbyuvd/chemq3-molsim-sft-smiles

Viewer • Updated 3 days ago • 777k • 13

liuganghuggingface/demodiff_downstream

Viewer • Updated 12 days ago • 12.4k • 155