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

  • Log In
  • Sign Up
Derify 's Collections
ModChemBERT
ChemMRL
ChemBERTa
Augmented Canonical SMILES datasets
SAFE Datasets
Benchmarking Datasets

SAFE Datasets

updated 1 day ago

SAFE (Sequential Attachment-based Fragment Embedding) representation datasets with corresponding SMILES strings

Upvote
-

  • Derify/safe_druglike_QED_Pfizer_11m

    Viewer • Updated 1 day ago • 11.4M • 16

  • Derify/safe_pubchem_10m

    Viewer • Updated Feb 24, 2025 • 10.2M • 116

  • Derify/safe_druglike_QED_33m

    Viewer • Updated Feb 24, 2025 • 33.6M • 81
Upvote
-
  • Collection guide
  • Browse collections
Company
TOS Privacy About Careers
Website
Models Datasets Spaces Pricing Docs