Datasets › MoleculeCLA

MoleculeCLA

Introduced by Shikun Feng et al. in MoleculeCLA: Rethinking Molecular Benchmark via Computational Ligand-Target Binding Analysis13 Jun 2024 archive 2025-07-28

We present MoleculeCLA: a large-scale dataset consisting of approximately 140,000 small molecules derived from computational ligand-target binding analysis, providing nine properties that cover chemical, physical, and biological aspects.

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Benchmarks archive 2025-07-28

No leaderboard in the archive resolves to this dataset.

Papers archive 2025-07-28

No paper in the archive has a leaderboard row on this dataset; the archive counts 1 paper for it but never published that list.

Dataset loaders archive 2025-07-28

No loader listed in the archive.

Tasks archive 2025-07-28

No task tagged in the archive.

License archive 2025-07-28

MIT

Modalities archive 2025-07-28

No modality tagged.

Languages archive 2025-07-28

English

Variants archive 2025-07-28

MoleculeCLA

1 variant name, as the archive lists them.

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