Hugging Face's logo Hugging Face
  • Models
  • Datasets
  • Spaces
  • Buckets new
  • Docs
  • Enterprise
  • Pricing
    • Website
      • Tasks
      • HuggingChat
      • Collections
      • Languages
      • Organizations
    • Community
      • Blog
      • Posts
      • Daily Papers
      • Learn
      • Discord
      • Forum
      • GitHub
    • Solutions
      • Team & Enterprise
      • Hugging Face PRO
      • Enterprise Support
      • Inference Providers
      • Inference Endpoints
      • Storage Buckets

  • Log In
  • Sign Up

Datasets:
SupraBench
/
SupraDB-LigandScore

Modalities:
Tabular
Text
Formats:
csv
Size:
100K - 1M
Tags:
chemistry
supramolecular-chemistry
cb7
glide
crc
Libraries:
Datasets
pandas
Polars
License:
Dataset card Data Studio Files Files and versions
xet
Community
1
SupraDB-LigandScore
104 MB
  • 1 contributor
History: 7 commits
mtybilly's picture
mtybilly
Upload README.md with huggingface_hub
895f9a5 verified 5 days ago
  • .gitattributes
    2.55 kB
    Rebuild from full GEOM pool (301,573 guests, Group-1 no-dock scores) 6 days ago
  • README.md
    4 kB
    Upload README.md with huggingface_hub 5 days ago
  • features.csv
    104 MB
    xet
    Rebuild w/ QM9: 429,140 guests, identity (name/smiles/source) + 9 scores 5 days ago