Zhenghang04/DrugDiscovery_SMILES_Dataset
Updated • 68 • 3
Edit Datasets filters
Active filters: smiles
PatSnap/chemical-structure
Viewer • Updated • 5k • 41 • 1
zpn/zinc20
Preview • Updated • 865 • 15
alxfgh/PubChem10M_SELFIES
Viewer • Updated • 10M • 135 • 1
alxfgh/PubChem10M_SELFIES_Tokenized
Viewer • Updated • 4.99M • 11 • 2
datamol-io/safe-gpt
Viewer • Updated • 1.17B • 1.54k • 4
pvrancx/tyk2_fep
Viewer • Updated • 10k • 8
Derify/augmented_canonical_pubchem_13m
Viewer • Updated • 13.3M • 24
Derify/augmented_canonical_druglike_QED_43m
Viewer • Updated • 42.8M • 22
Derify/safe_druglike_QED_33m
Viewer • Updated • 33.6M • 27
Derify/safe_pubchem_10m
Viewer • Updated • 10.2M • 25
karina-zadorozhny/ATOMICA
Viewer • Updated • 343k • 143
jablonkagroup/chempile-mlift
Viewer • Updated • 51.5M • 1.76k • 14
ChemFM/MolLangBench
Viewer • Updated • 34.6k • 148 • 2
jablonkagroup/chempile-lift
Viewer • Updated • 176M • 2.24k • 7
Derify/pubchem_10m_genmol_similarity
Viewer • Updated • 21M • 37
futurehouse/ether0-benchmark
Viewer • Updated • 325 • 296 • 18
Derify/druglike
Viewer • Updated • 72M • 34
molport/In-stock-Database
Viewer • Updated • 5.97M • 56
molport/In-stock-Building-Block-Database
Viewer • Updated • 967k • 26 • 1
molport/In-stock-Screening-Compound-Database
Viewer • Updated • 5.39M • 84 • 1
Derify/msr-acc-tae25-regression
Viewer • Updated • 76.4k • 21
Derify/augmented_canonical_druglike_QED_Pfizer_15m
Viewer • Updated • 15.4M • 28
molport/Drug-like-Compound-Library
Viewer • Updated • 2.14M • 8
Derify/antimalarial-classification
Viewer • Updated • 4.79k • 15
Derify/cocrystal-classification
Viewer • Updated • 1.48k • 26
Derify/covid-19-classification
Viewer • Updated • 2.6k • 11
gbyuvd/chemq3-molsim-sft-smiles
Viewer • Updated • 777k • 22
summykai/chemistry-sft-ultra
Viewer • Updated • 1.37M • 84
jeffdekerj/bms-images-shards
Updated • 16