zpn/zinc20
Preview • Updated • 835 • 15
Edit Datasets filters
Active filters: smiles
alxfgh/PubChem10M_SELFIES
Viewer • Updated • 10M • 155 • 1
alxfgh/PubChem10M_SELFIES_Tokenized
Viewer • Updated • 4.99M • 19 • 2
datamol-io/safe-gpt
Viewer • Updated • 1.17B • 2.02k • 4
pvrancx/tyk2_fep
Viewer • Updated • 10k • 11
Derify/augmented_canonical_pubchem_13m
Viewer • Updated • 13.3M • 74
Derify/augmented_canonical_druglike_QED_43m
Viewer • Updated • 42.8M • 92
Derify/safe_druglike_QED_33m
Viewer • Updated • 33.6M • 52
Derify/safe_pubchem_10m
Viewer • Updated • 10.2M • 17
karina-zadorozhny/ATOMICA
Viewer • Updated • 343k • 729
jablonkagroup/chempile-mlift
Viewer • Updated • 51.5M • 2.99k • 14
ChemFM/MolLangBench
Viewer • Updated • 34.6k • 151 • 2
jablonkagroup/chempile-lift
Viewer • Updated • 176M • 1.47k • 7
Derify/pubchem_10m_genmol_similarity
Viewer • Updated • 21M • 89
futurehouse/ether0-benchmark
Viewer • Updated • 325 • 311 • 18
Derify/druglike
Viewer • Updated • 72M • 43
molport/In-stock-Database
Viewer • Updated • 5.97M • 40
molport/In-stock-Building-Block-Database
Viewer • Updated • 967k • 29 • 1
molport/In-stock-Screening-Compound-Database
Viewer • Updated • 5.39M • 95 • 1
Derify/msr-acc-tae25-regression
Viewer • Updated • 76.4k • 25
Derify/augmented_canonical_druglike_QED_Pfizer_15m
Viewer • Updated • 15.4M • 74
molport/Drug-like-Compound-Library
Viewer • Updated • 2.14M • 8
Derify/antimalarial-classification
Viewer • Updated • 4.79k • 14
Derify/cocrystal-classification
Viewer • Updated • 1.48k • 25
Derify/covid-19-classification
Viewer • Updated • 2.6k • 38
gbyuvd/chemq3-molsim-sft-smiles
Viewer • Updated • 777k • 86
summykai/chemistry-sft-ultra
Viewer • Updated • 1.37M • 104
jeffdekerj/bms-images-shards
Updated • 13
jeffdekerj/bms-images-shards-256
Updated • 13
nfsrulesFR/mega-moledit-522K
Viewer • Updated • 1.04M • 8