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Datasets:
SupraBench
/
Binding-Affinity

Tasks:
Tabular Regression
Modalities:
Image
Text
Formats:
parquet
Size:
1K - 10K
Tags:
chemistry
supramolecular
binding-affinity
host-guest
smiles
molecular-structures
Libraries:
Datasets
pandas
Polars
License:
Dataset card Data Studio Files Files and versions
xet
Community
1
Binding-Affinity
110 MB
  • 1 contributor
History: 7 commits
mtybilly's picture
mtybilly
Document 3D structure access (Files tab + hf_hub_download)
e2bc8bb verified 9 days ago
  • data
    Add comprehensive per-record anchor dataset (2,609 records, host+guest structures+environment) 9 days ago
  • structures_3d
    Add SupraBench molecular structures: SMILES + 2D images + 3D conformers (1,470 components) 9 days ago
  • .gitattributes
    2.5 kB
    initial commit 9 days ago
  • README.md
    4.79 kB
    Document 3D structure access (Files tab + hf_hub_download) 9 days ago
  • failures.csv
    3.24 kB
    Add SupraBench molecular structures: SMILES + 2D images + 3D conformers (1,470 components) 9 days ago