Derify/safe_druglike_QED_Pfizer_11m
Viewer • Updated • 11.4M • 41
Edit Datasets filters
Active filters: cheminformatics
Derify/ReactionSmiles
Viewer • Updated • 3.44M • 163 • 1
wasitkrish/ChEMBL-ASK1-Fibrosis
Viewer • Updated • 2.47k • 16
levakrasnov/BigSolDBv2.1
Viewer • Updated • 112k • 39
levakrasnov/SoluBench
Viewer • Updated • 9.81k • 409
wirthal1990-tech/USDA-Phytochemical-Database-JSON
Viewer • Updated • 400 • 583 • 1
opendatalab/SA-RxnDiagram-15k
Updated • 141 • 3
danilo-trabuco26/venom-peptide-atlas
Preview • Updated • 43
Xin1222/SA-RxnDiagram-15k
Updated • 39
YinkaiW/pubchem-faiss-library
Updated • 234
PatSnap/chemical-structure
Viewer • Updated • 1M • 150 • 2
Anonymous-07/ChemSafetyBench
Viewer • Updated • 32.6k • 157
Anonymous-07/SafeChem
Viewer • Updated • 32.2k • 76
cp-bg-bench-anon/jump-compounds
Viewer • Updated • 1.47k • 35
aayushkrm/autochem-instruct
Viewer • Updated • 110 • 96
tiny226/SAVI-2020-NOVA
Updated • 54
SiriusQuantum/bbbp-quantum-relabeled
Viewer • Updated • 85 • 29
Keylab/OCSR-Benchmarks
Viewer • Updated • 94.6k • 51
Hari5115/molecular-odor-dataset
Viewer • Updated • 5.31k • 23