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eve-bio/drug-target-activity
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5 days ago
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563k
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111
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32
HemanthKari/rcsb-ligand-retrieval-v0.1
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4 days ago
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72.4k
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616
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1
PatSnap/chemical-structure
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about 19 hours ago
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5k
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46
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1
datamol-io/safe-gpt
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Jan 12
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1.17B
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1.51k
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4
tlemenestrel/Smiles2Dock
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Aug 21, 2025
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17.9M
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125
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1
gbyuvd/coconut-chembl34-selfies-mlm
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Sep 6, 2025
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270k
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113
gbyuvd/coconut-chembl34-mol-sim
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Sep 6, 2025
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1.17M
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52
gbyuvd/chembl34-hs221-drugtarget
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Sep 6, 2025
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221k
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43
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1
liuganghuggingface/Llamole-MolQA
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Oct 10, 2024
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128k
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64
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1
Metanova/SAVI-2020
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Sep 23, 2025
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5.58k
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2
vmsavla/ro4_vs_d2
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Apr 23, 2025
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15.5M
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21
jablonkagroup/chempile-mlift
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Jul 27, 2025
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51.5M
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1.88k
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14
jablonkagroup/chempile-lift
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Jan 12
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176M
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1.98k
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7
oxai4science/sagan-mc
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May 27, 2025
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423k
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54
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6
photonmz/pdbbindpp-2020
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May 26, 2025
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60
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1
DeepYoke/ToxiMol-benchmark
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Jan 24
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660
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128
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Derify/pubchem_10m_genmol_similarity
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Sep 9, 2025
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21M
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37
FuhaiLiAiLab/BioMedGraphica
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Mar 27
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835k
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71
summykai/chem-rlvr-TEST
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Jul 30, 2025
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7k
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106
summykai/chem-rlvr-TEST-2
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Jul 31, 2025
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10.4k
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44
summykai/chem-rlvr-TEST-3
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Jul 31, 2025
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16.7k
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64
summykai/chem-rlvr-TEST-4
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Jul 31, 2025
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16.7k
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39
gomesgroup/iron-mind-data
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24 days ago
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71
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1
summykai/chem-rlvr-TEST-5
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Aug 9, 2025
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16.7k
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71
molport/In-stock-Screening-Compound-Database
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20 days ago
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5.39M
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86
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1
Y-Tarl/BioGraphFusion
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Sep 22, 2025
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156k
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32
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1
hugging-science/awesome-food-allergy-datasets
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Oct 15, 2025
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72
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31
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6
gbyuvd/chemq3-molsim-sft-smiles
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Oct 23, 2025
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777k
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21
liuganghuggingface/demodiff_downstream
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Oct 15, 2025
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12.4k
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111
zihaojing/MuMo-Pretraining
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Oct 29, 2025
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1.59M
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