Dataset · Hugging Face

omtx/lula-data-public-train-test

Name: lula-data-public-train-test
Creator: omtx
License: other
Keywords: license:other, size_categories:1M<n<10M, format:parquet, modality:tabular, modality:text, library:datasets, library:dask, library:polars, library:mlcroissant, region:us, bioactivity, chemistry, protein-ligand-binding

LULA Data Public Train/Test This dataset contains 6,819,817 protein-small-molecule pairs with binary bioactivity labels and fixed train/test splits. Fields pair_id: stable identifier for the protein-molecule pair. canonical_smiles: canonical molecule SMILES. protein_sequence: amino-acid sequence. uniprot_id: normalized UniProt identifier. label: 1 for binder/active and 0 for non-binder/inactive. split: train or test. sources: public databases contributing… See the full description on the dataset page: https://huggingface.co/datasets/omtx/lula-data-public-train-test.

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Author / organization	omtx
License (as declared)	other
Downloads	188 (as reported by Hugging Face)
Likes	1
Created	17 August 2026
Last updated at source	17 August 2026

bioactivitychemistryprotein-ligand-binding

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