Edit Datasets filters

Trained with AutoTrain

Datasets

25

Full-text search

Active filters: smiles

zpn/zinc20

Preview • Updated Jan 6, 2023 • 145 • 14

alxfgh/PubChem10M_SELFIES

Viewer • Updated May 6, 2023 • 10M • 44

alxfgh/PubChem10M_SELFIES_Tokenized

Viewer • Updated Apr 30, 2023 • 4.99M • 54

pvrancx/tyk2_fep

Viewer • Updated Dec 30, 2023 • 10k • 11

Derify/augmented_canonical_pubchem_13m

Viewer • Updated Sep 9 • 13.3M • 31

Derify/augmented_canonical_druglike_QED_43M

Viewer • Updated Sep 9 • 42.8M • 60

Derify/safe_druglike_QED_33M

Viewer • Updated Feb 24 • 33.6M • 39

Derify/safe_pubchem_10m

Viewer • Updated Feb 24 • 10.2M • 64

karina-zadorozhny/ATOMICA

Viewer • Updated Apr 28 • 343k • 66

jablonkagroup/chempile-mlift

Viewer • Updated Jul 27 • 51.5M • 4.63k • 9

ChemFM/MolLangBench

Viewer • Updated Sep 24 • 33.6k • 114 • 1

jablonkagroup/chempile-lift

Viewer • Updated Jul 26 • 176M • 1.23k • 6

Derify/pubchem_10m_genmol_similarity

Viewer • Updated Sep 9 • 21M • 215

futurehouse/ether0-benchmark

Viewer • Updated Jun 24 • 325 • 283 • 13

Derify/druglike

Viewer • Updated Sep 9 • 72M • 32

molport/In-stock-Database

Viewer • Updated Oct 1 • 5.91M • 90

molport/In-stock-Building-Block-Database

Viewer • Updated Oct 1 • 858k • 11 • 1

molport/In-stock-Screening-Compound-Database

Viewer • Updated Oct 1 • 5.32M • 74 • 1

Derify/msr-acc-tae25-regression

Viewer • Updated Sep 1 • 76.4k • 6

Derify/augmented_canonical_druglike_QED_Pfizer_15M

Viewer • Updated Sep 9 • 15.4M • 28

molport/Drug-like-Compound-Library

Viewer • Updated Sep 8 • 2.14M • 8

Derify/antimalarial-classification

Viewer • Updated Sep 26 • 4.79k • 6

Derify/cocrystal-classification

Viewer • Updated Sep 26 • 1.48k • 23

Derify/covid-19-classification

Viewer • Updated Sep 26 • 2.6k • 20

gbyuvd/chemq3-molsim-sft-smiles

Viewer • Updated 13 days ago • 777k • 13