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Zhenghang04/DrugDiscovery_SMILES_Dataset
Updated
4 days ago
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46
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3
openadmet/pxr-challenge-train-test
Viewer
•
Updated
14 days ago
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28.6k
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2.03k
•
11
PatSnap/chemical-structure
Viewer
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Updated
1 day ago
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5k
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15
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1
datamol-io/safe-gpt
Viewer
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Updated
Jan 12
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1.17B
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1.59k
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4
tlemenestrel/Smiles2Dock
Viewer
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Updated
Aug 21, 2025
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17.9M
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105
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1
gbyuvd/coconut-chembl34-selfies-mlm
Viewer
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Updated
Sep 6, 2025
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270k
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104
gbyuvd/coconut-chembl34-mol-sim
Viewer
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Updated
Sep 6, 2025
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1.17M
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53
gbyuvd/chembl34-hs221-drugtarget
Viewer
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Updated
Sep 6, 2025
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221k
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43
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1
liuganghuggingface/Llamole-MolQA
Viewer
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Updated
Oct 10, 2024
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128k
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61
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1
Metanova/SAVI-2020
Updated
Sep 23, 2025
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6.78k
•
2
vmsavla/ro4_vs_d2
Viewer
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Updated
Apr 23, 2025
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15.5M
•
25
jablonkagroup/chempile-mlift
Viewer
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Updated
Jul 27, 2025
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51.5M
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1.49k
•
14
jablonkagroup/chempile-lift
Viewer
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Updated
Jan 12
•
176M
•
2.54k
•
7
oxai4science/sagan-mc
Viewer
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Updated
May 27, 2025
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423k
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71
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6
photonmz/pdbbindpp-2020
Updated
May 26, 2025
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56
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1
DeepYoke/ToxiMol-benchmark
Viewer
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Updated
Jan 24
•
660
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122
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2
Derify/pubchem_10m_genmol_similarity
Viewer
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Updated
Sep 9, 2025
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21M
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36
FuhaiLiAiLab/BioMedGraphica
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Updated
27 days ago
•
835k
•
79
summykai/chem-rlvr-TEST
Viewer
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Updated
Jul 30, 2025
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7k
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109
summykai/chem-rlvr-TEST-2
Viewer
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Updated
Jul 31, 2025
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10.4k
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44
summykai/chem-rlvr-TEST-3
Viewer
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Updated
Jul 31, 2025
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16.7k
•
69
summykai/chem-rlvr-TEST-4
Viewer
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Updated
Jul 31, 2025
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16.7k
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42
gomesgroup/iron-mind-data
Updated
20 days ago
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65
•
1
summykai/chem-rlvr-TEST-5
Viewer
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Updated
Aug 9, 2025
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16.7k
•
69
molport/In-stock-Screening-Compound-Database
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Updated
15 days ago
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5.39M
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79
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1
eve-bio/drug-target-activity
Viewer
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Updated
about 7 hours ago
•
563k
•
77
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28
Y-Tarl/BioGraphFusion
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•
Updated
Sep 22, 2025
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156k
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34
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1
hugging-science/awesome-food-allergy-datasets
Viewer
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Updated
Oct 15, 2025
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72
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26
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6
gbyuvd/chemq3-molsim-sft-smiles
Viewer
•
Updated
Oct 23, 2025
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777k
•
22
liuganghuggingface/demodiff_downstream
Viewer
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Updated
Oct 15, 2025
•
12.4k
•
99
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