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cheminformatics

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maomlab/AqSolDB

Viewer • Updated Aug 1 • 9.98k • 92

maomlab/MutagenLou2023

Viewer • Updated May 19 • 10k • 778

molssiai-hub/pubchem-07-23-2024

Updated Jul 22 • 12 • 1

molssiai-hub/pubchem-10-15-2024

Updated Jul 22 • 2

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

Updated Jul 22 • 17

Metanova/SAVI-2020

Updated Sep 23 • 3.54k • 2

Derify/augmented_canonical_pubchem_13m

Viewer • Updated Sep 9 • 13.3M • 27

molssiai-hub/pubchem-02-21-2025

Updated Jul 22 • 3

Derify/augmented_canonical_druglike_QED_43M

Viewer • Updated Sep 9 • 42.8M • 57

Derify/safe_druglike_QED_33M

Viewer • Updated Feb 24 • 33.6M • 37

Derify/safe_pubchem_10m

Viewer • Updated Feb 24 • 10.2M • 59

luxuan-lulu/Bioactivity_Final_project

Viewer • Updated Apr 16 • 15.1k • 10

molssiai-hub/pubchem-04-18-2025

Preview • Updated Jul 22 • 275

sarahantgan/5HT_Ki_Prediction

Viewer • Updated Apr 23 • 98.7k • 31

Derify/pubchem_10m_genmol_similarity

Viewer • Updated Sep 9 • 21M • 145

Derify/druglike

Viewer • Updated Sep 9 • 72M • 30

summykai/chem-rlvr-TEST

Viewer • Updated Jul 30 • 7k • 73

ia03/terminal-bench

Viewer • Updated Jul 28 • 112 • 179 • 1

summykai/chem-rlvr-TEST-2

Viewer • Updated Jul 31 • 10.4k • 44

summykai/chem-rlvr-TEST-3

Viewer • Updated Jul 31 • 16.7k • 14

summykai/chem-rlvr-TEST-4

Viewer • Updated Jul 31 • 16.7k • 79

summykai/chem-rlvr-TEST-5

Viewer • Updated Aug 9 • 16.7k • 67

Derify/msr-acc-tae25-regression

Viewer • Updated Sep 1 • 76.4k • 6

Derify/augmented_canonical_druglike_QED_Pfizer_15M

Viewer • Updated Sep 9 • 15.4M • 23

Derify/antimalarial-classification

Viewer • Updated Sep 26 • 4.79k • 11

Derify/cocrystal-classification

Viewer • Updated Sep 26 • 1.48k • 24

Derify/covid-19-classification

Viewer • Updated Sep 26 • 2.6k • 22