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Datasets:
SupraBench
/
Binding-Affinity

Tasks:
Tabular Regression
Modalities:
Image
Text
Formats:
parquet
Size:
1K - 10K
ArXiv:
Tags:
chemistry
supramolecular
binding-affinity
host-guest
smiles
molecular-structures
Libraries:
Datasets
pandas
Polars
License:
Dataset card Data Studio Files
xet
 Community
2
Binding-Affinity / data

Commit History

  1. Add comprehensive per-record anchor dataset (2,609 records, host+guest structures+environment)

    mtybilly
    Verified signature
    6b3dc10

  2. Remove per-molecule parquet (superseded by per-record records.parquet)

    mtybilly
    Verified signature
    c4ad947

  3. Embed 2D image bytes so the HF data viewer renders

    mtybilly
    Verified signature
    892e453

  4. Add SupraBench molecular structures: SMILES + 2D images + 3D conformers (1,470 components)

    mtybilly
    Verified signature
    4c3cb54