Edit Datasets filters

cheminformatics

Datasets

29

Full-text search

Active filters: cheminformatics

meaw0415/NMRGym

Updated 25 days ago • 15 • 3

maomlab/AqSolDB

Viewer • Updated Aug 1 • 9.98k • 58

maomlab/MutagenLou2023

Viewer • Updated May 19 • 10k • 557

molssiai-hub/pubchem-07-23-2024

Updated Jul 22 • 82 • 1

molssiai-hub/pubchem-10-15-2024

Updated Jul 22 • 113

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

Updated Jul 22 • 84

Metanova/SAVI-2020

Updated Sep 23 • 6.79k • 2

Derify/augmented_canonical_pubchem_13m

Viewer • Updated Sep 9 • 13.3M • 59

molssiai-hub/pubchem-02-21-2025

Updated Jul 22 • 117

Derify/augmented_canonical_druglike_QED_43M

Viewer • Updated Sep 9 • 42.8M • 76

Derify/safe_druglike_QED_33M

Viewer • Updated Feb 24 • 33.6M • 121

Derify/safe_pubchem_10m

Viewer • Updated Feb 24 • 10.2M • 91

luxuan-lulu/Bioactivity_Final_project

Viewer • Updated Apr 16 • 15.1k • 72

molssiai-hub/pubchem-04-18-2025

Preview • Updated Jul 22 • 168

sarahantgan/5HT_Ki_Prediction

Viewer • Updated Apr 23 • 98.7k • 104

Derify/pubchem_10m_genmol_similarity

Viewer • Updated Sep 9 • 21M • 199

Derify/druglike

Viewer • Updated Sep 9 • 72M • 102

summykai/chem-rlvr-TEST

Viewer • Updated Jul 30 • 7k • 223

ia03/terminal-bench

Viewer • Updated Jul 28 • 112 • 496 • 2

summykai/chem-rlvr-TEST-2

Viewer • Updated Jul 31 • 10.4k • 173

summykai/chem-rlvr-TEST-3

Viewer • Updated Jul 31 • 16.7k • 82

summykai/chem-rlvr-TEST-4

Viewer • Updated Jul 31 • 16.7k • 188

summykai/chem-rlvr-TEST-5

Viewer • Updated Aug 9 • 16.7k • 168

Derify/msr-acc-tae25-regression

Viewer • Updated Sep 1 • 76.4k • 44

Derify/augmented_canonical_druglike_QED_Pfizer_15M

Viewer • Updated Sep 9 • 15.4M • 87

Derify/antimalarial-classification

Viewer • Updated Sep 26 • 4.79k • 28

Derify/cocrystal-classification

Viewer • Updated Sep 26 • 1.48k • 42

Derify/covid-19-classification

Viewer • Updated Sep 26 • 2.6k • 28

meaw0415/Meaw0415

Updated Nov 6 • 66