Edit Datasets filters

Datasets

53

Full-text search

Active filters: drug-discovery

datamol-io/safe-gpt

Viewer • Updated Jan 12 • 1.17B • 1.57k • 3

tlemenestrel/Smiles2Dock

Viewer • Updated Aug 21, 2025 • 17.9M • 80 • 1

gbyuvd/coconut-chembl34-selfies-mlm

Viewer • Updated Sep 6, 2025 • 270k • 212

gbyuvd/coconut-chembl34-mol-sim

Viewer • Updated Sep 6, 2025 • 1.17M • 172

gbyuvd/chembl34-hs221-drugtarget

Viewer • Updated Sep 6, 2025 • 221k • 12 • 1

liuganghuggingface/Llamole-MolQA

Viewer • Updated Oct 10, 2024 • 128k • 24 • 1

Metanova/SAVI-2020

Updated Sep 23, 2025 • 9.4k • 2

vmsavla/ro4_vs_d2

Viewer • Updated Apr 23, 2025 • 15.5M • 2

jablonkagroup/chempile-mlift

Viewer • Updated Jul 27, 2025 • 51.5M • 1.82k • 13

jablonkagroup/chempile-lift

Viewer • Updated Jan 12 • 176M • 1.44k • 7

oxai4science/sagan-mc

Viewer • Updated May 27, 2025 • 423k • 73 • 6

photonmz/pdbbindpp-2020

Updated May 26, 2025 • 13

DeepYoke/ToxiMol-benchmark

Viewer • Updated 26 days ago • 660 • 408 • 2

Derify/pubchem_10m_genmol_similarity

Viewer • Updated Sep 9, 2025 • 21M • 45

FuhaiLiAiLab/BioMedGraphica

Viewer • Updated Oct 3, 2025 • 835k • 155

summykai/chem-rlvr-TEST

Viewer • Updated Jul 30, 2025 • 7k • 283

summykai/chem-rlvr-TEST-2

Viewer • Updated Jul 31, 2025 • 10.4k • 253

summykai/chem-rlvr-TEST-3

Viewer • Updated Jul 31, 2025 • 16.7k • 106

summykai/chem-rlvr-TEST-4

Viewer • Updated Jul 31, 2025 • 16.7k • 180

gomesgroup/iron-mind-data

Updated 2 days ago • 53 • 1

summykai/chem-rlvr-TEST-5

Viewer • Updated Aug 9, 2025 • 16.7k • 128

molport/In-stock-Screening-Compound-Database

Viewer • Updated 14 days ago • 5.31M • 159 • 1

eve-bio/drug-target-activity

Viewer • Updated 3 days ago • 479k • 61 • 27

Y-Tarl/BioGraphFusion

Viewer • Updated Sep 22, 2025 • 156k • 22 • 1

hugging-science/awesome-food-allergy-datasets

Viewer • Updated Oct 15, 2025 • 72 • 56 • 5

gbyuvd/chemq3-molsim-sft-smiles

Viewer • Updated Oct 23, 2025 • 777k • 16

liuganghuggingface/demodiff_downstream

Viewer • Updated Oct 15, 2025 • 12.4k • 484

zihaojing/MuMo-Pretraining

Viewer • Updated Oct 29, 2025 • 1.59M • 21

HySonLab/AbDes

Preview • Updated Nov 6, 2025 • 14 • 1

SaeedLab/BBB

Viewer • Updated Jan 14 • 10.4k • 137