Datasets › mdCATH

mdCATH (mdCATH: A Large-Scale MD Dataset for Data-Driven Computational Biophysics)

Introduced by Antonio Mirarchi et al. in mdCATH: A Large-Scale MD Dataset for Data-Driven Computational Biophysics20 Jul 2024 archive 2025-07-28

This dataset comprises all-atom systems for 5,398 CATH domains, modeled with a state-of-the-art classical force field, and simulated in five replicates each at five temperatures from 320 K to 450 K.

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

No licence recorded in the archive. Absence here is not a statement about the dataset's terms.

Modalities archive 2025-07-28

No modality tagged.

Languages archive 2025-07-28

No language tagged.

Variants archive 2025-07-28

  • mdCATH

1 variant name, as the archive lists them.

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