3BPA MD17 Dataset

The dataset is used for testing the proposed TopNets architecture on molecular dynamics simulation tasks.

Data and Resources

Cite this as

Yogesh Verma, Markus Heinonen, Vikas Garg (2024). Dataset: 3BPA MD17 Dataset. https://doi.org/10.57702/dqo0mutr

DOI retrieved: December 3, 2024

Additional Info

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Created December 3, 2024
Last update December 3, 2024
Defined In https://doi.org/10.48550/arXiv.2406.03164
Author Yogesh Verma
More Authors
Markus Heinonen
Vikas Garg
Homepage https://doi.org/10.1038/s41586-021-0345-4