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cheminformatics

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maomlab/AqSolDB

Viewer • Updated 5 days ago • 9.98k • 78

maomlab/MutagenLou2023

Viewer • Updated May 19 • 10k • 1.03k

molssiai-hub/pubchem-07-23-2024

Updated 15 days ago • 168 • 1

molssiai-hub/pubchem-10-15-2024

Updated 15 days ago • 38

molssiai-hub/pubchem-10-15-2024-selfies

Updated 15 days ago • 32

Derify/augmented_canonical_pubchem_13m

Viewer • Updated Feb 22 • 13.3M • 21

molssiai-hub/pubchem-02-21-2025

Updated 15 days ago • 66

Derify/augmented_canonical_druglike_QED_43M

Viewer • Updated Jul 3 • 42.8M • 32

Derify/safe_druglike_QED_33M

Viewer • Updated Feb 24 • 33.6M • 17

Derify/safe_pubchem_10m

Viewer • Updated Feb 24 • 10.2M • 21

luxuan-lulu/Bioactivity_Final_project

Viewer • Updated Apr 16 • 15.1k • 4

molssiai-hub/pubchem-04-18-2025

Preview • Updated 15 days ago • 31

sarahantgan/5HT_Ki_Prediction

Viewer • Updated Apr 23 • 98.7k • 21

Derify/pubchem_10m_genmol_similarity

Viewer • Updated 13 days ago • 21.1M • 81

Derify/druglike

Viewer • Updated Jul 3 • 72M • 66

summykai/chembench-rlvr-test

Viewer • Updated 8 days ago • 7k • 129

ia03/terminal-bench

Viewer • Updated 9 days ago • 112 • 218 • 1

summykai/chembench-rlvr-test2

Viewer • Updated 7 days ago • 10.4k • 62

summykai/chembench-rlvr-test3

Viewer • Updated 6 days ago • 16.7k • 66

summykai/chembench-rlvr-test4

Viewer • Updated 6 days ago • 16.7k • 61