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

  • Log In
  • Sign Up

Edit Datasets filters

discord
art
Synthetic
medical
code
biology
finance
legal
chemistry
agent
music
climate

Datasets

40
Full-text search
Active filters: cheminformatics

XUO/terminal-bench

Viewer • Updated Dec 19, 2025 • 112 • 19

Derify/safe_druglike_QED_Pfizer_11m

Viewer • Updated Jan 1 • 11.4M • 13

Derify/ReactionSmiles

Viewer • Updated Jan 22 • 3.44M • 85

wasitkrish/ChEMBL-ASK1-Fibrosis

Viewer • Updated Feb 1 • 2.47k • 19

levakrasnov/BigSolDBv2.1

Viewer • Updated Feb 17 • 112k • 11

levakrasnov/SoluBench

Viewer • Updated Mar 4 • 9.81k • 30

wirthal1990-tech/USDA-Phytochemical-Database-JSON

Viewer • Updated 1 day ago • 400 • 666 • 1

danilo-trabuco26/venom-peptide-atlas

Preview • Updated 17 days ago • 39

Xin1222/SA-RxnDiagram-15k

Updated 15 days ago • 41

YinkaiW/pubchem-faiss-library

Updated 13 days ago • 183
  • Previous
  • 1
  • 2
  • Next
Company
TOS Privacy About Careers
Website
Models Datasets Spaces Pricing Docs