Datasets › HT Docking

HT Docking

Introduced by Austin Clyde et al. in Protein-Ligand Docking Surrogate Models: A SARS-CoV-2 Benchmark for Deep Learning Accelerated Virtual Screening13 Jun 2021 archive 2025-07-28

HT Docking is a dataset consisting of 200 million 3D complex structures and 2D structure scores across a consistent set of 13 million ``in-stock'' molecules over 15 receptors, or binding sites, across the SARS-CoV-2 proteome. It is used to study surrogate model accuracy for protein-ligand docking.

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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

task

License archive 2025-07-28

Unknown

Modalities archive 2025-07-28

No modality tagged.

Languages archive 2025-07-28

Chinese

Variants archive 2025-07-28

HT Docking

1 variant name, as the archive lists them.

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