PatSnap/chemical-structure
Viewer • Updated • 1M • 92 • 2
Edit Datasets filters
Active filters: smiles
zpn/zinc20
Preview • Updated • 1.22k • 15
alxfgh/PubChem10M_SELFIES
Viewer • Updated • 10M • 141 • 1
alxfgh/PubChem10M_SELFIES_Tokenized
Viewer • Updated • 4.99M • 18 • 2
datamol-io/safe-gpt
Viewer • Updated • 1.17B • 1.68k • 4
pvrancx/tyk2_fep
Viewer • Updated • 10k • 12
Derify/augmented_canonical_pubchem_13m
Viewer • Updated • 13.3M • 29
Derify/augmented_canonical_druglike_QED_43m
Viewer • Updated • 42.8M • 25
Derify/safe_druglike_QED_33m
Viewer • Updated • 33.6M • 31
Derify/safe_pubchem_10m
Viewer • Updated • 10.2M • 26
karina-zadorozhny/ATOMICA
Viewer • Updated • 343k • 267
jablonkagroup/chempile-mlift
Viewer • Updated • 51.5M • 2.14k • 14
ChemFM/MolLangBench
Viewer • Updated • 34.6k • 113 • 2
jablonkagroup/chempile-lift
Viewer • Updated • 176M • 1.28k • 7
Derify/pubchem_10m_genmol_similarity
Viewer • Updated • 21M • 43
futurehouse/ether0-benchmark
Viewer • Updated • 325 • 317 • 18
Derify/druglike
Viewer • Updated • 72M • 35
molport/In-stock-Database
Viewer • Updated • 5.97M • 55
molport/In-stock-Building-Block-Database
Viewer • Updated • 967k • 31 • 1
molport/In-stock-Screening-Compound-Database
Viewer • Updated • 5.39M • 102 • 1
Derify/msr-acc-tae25-regression
Viewer • Updated • 76.4k • 27
Derify/augmented_canonical_druglike_QED_Pfizer_15m
Viewer • Updated • 15.4M • 33
molport/Drug-like-Compound-Library
Viewer • Updated • 2.14M • 9
Derify/antimalarial-classification
Viewer • Updated • 4.79k • 15
Derify/cocrystal-classification
Viewer • Updated • 1.48k • 25
Derify/covid-19-classification
Viewer • Updated • 2.6k • 13
gbyuvd/chemq3-molsim-sft-smiles
Viewer • Updated • 777k • 26
summykai/chemistry-sft-ultra
Viewer • Updated • 1.37M • 92
jeffdekerj/bms-images-shards
Updated • 13
jeffdekerj/bms-images-shards-256
Updated • 13