meaw0415/NMRGym
Updated • 128 • 7
Edit Datasets filters
Active filters: cheminformatics
maomlab/AqSolDB
Viewer • Updated • 9.98k • 629
maomlab/MutagenLou2023
Viewer • Updated • 10k • 35
molssiai-hub/pubchem-07-23-2024
Updated • 54 • 1
molssiai-hub/pubchem-10-15-2024
Updated • 19
Metanova/SAVI-2020
Updated • 958 • 2
Derify/augmented_canonical_pubchem_13m
Viewer • Updated • 13.3M • 29
molssiai-hub/pubchem-02-21-2025
Updated • 46
Derify/augmented_canonical_druglike_QED_43m
Viewer • Updated • 42.8M • 39
Derify/safe_druglike_QED_33m
Viewer • Updated • 33.6M • 41
Derify/safe_pubchem_10m
Viewer • Updated • 10.2M • 47
luxuan-lulu/Bioactivity_Final_project
Viewer • Updated • 15.1k • 15
molssiai-hub/pubchem-04-18-2025
Preview • Updated • 266
sarahantgan/5HT_Ki_Prediction
Viewer • Updated • 98.7k • 71
Derify/pubchem_10m_genmol_similarity
Viewer • Updated • 21M • 48
Derify/druglike
Viewer • Updated • 72M • 35
summykai/chem-rlvr-TEST
Viewer • Updated • 7k • 46
ia03/terminal-bench
Viewer • Updated • 112 • 2.59k • 3
summykai/chem-rlvr-TEST-2
Viewer • Updated • 10.4k • 25
summykai/chem-rlvr-TEST-3
Viewer • Updated • 16.7k • 43
summykai/chem-rlvr-TEST-4
Viewer • Updated • 16.7k • 30
summykai/chem-rlvr-TEST-5
Viewer • Updated • 16.7k • 24
Derify/msr-acc-tae25-regression
Viewer • Updated • 76.4k • 258
Derify/augmented_canonical_druglike_QED_Pfizer_15m
Viewer • Updated • 15.4M • 103
Derify/antimalarial-classification
Viewer • Updated • 4.79k • 9
Derify/cocrystal-classification
Viewer • Updated • 1.48k • 16
Derify/covid-19-classification
Viewer • Updated • 2.6k • 9
meaw0415/Meaw0415
Updated • 87
gschottlender/reverse_ligq
Viewer • Updated • 4.87M • 15
XUO/terminal-bench
Viewer • Updated • 112 • 513