Hugging Face's logo Hugging Face
  • Models
  • Datasets
  • Spaces
  • Docs
  • Enterprise
  • Pricing

  • Log In
  • Sign Up

Edit Datasets filters

molecules
art
Synthetic
code
medical
Trained with AutoTrain
biology
legal
finance
chemistry
music
climate

Datasets

10
Full-text search
Active filters: molecules

jglaser/binding_affinity

Viewer • Updated Mar 12, 2022 • 3.67M • 1.45k • 17

jglaser/protein_ligand_contacts

Viewer • Updated Mar 15, 2022 • 20.8k • 134 • 6

jglaser/pdbbind_complexes

Viewer • Updated May 14, 2022 • 16.1k • 155 • 1

jglaser/pdb_protein_ligand_complexes

Updated Oct 13, 2022 • 230 • 6

djh992/pdbbind_complex_GB2022

Viewer • Updated Feb 20, 2023 • 14.9k • 32 • 1

alxfgh/PubChem10M_SELFIES

Viewer • Updated May 6, 2023 • 10M • 75

alxfgh/PubChem10M_SELFIES_Tokenized

Viewer • Updated Apr 30, 2023 • 4.99M • 14

molport/In-stock-Database

Viewer • Updated 1 day ago • 5.76M • 19

molport/In-stock-Building-Block-Database

Viewer • Updated 1 day ago • 839k

molport/In-stock-Screening-Compound-Database

Viewer • Updated 1 day ago • 5.18M
Company
TOS Privacy About Jobs
Website
Models Datasets Spaces Pricing Docs