3BPA dataset

The 3BPA dataset is a benchmark dataset for Equivariant Many-body Interaction operations, consisting of 500 geometries sampled from different temperature molecular dynamics trajectories.

Data and Resources

Cite this as

Shengjie Luo, Tianlang Chen, Yixian Xu, Shuxin Zheng, Tie-Yan Liu, Di He (2024). Dataset: 3BPA dataset. https://doi.org/10.57702/kdwvmlif

DOI retrieved: December 16, 2024

Additional Info

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Created December 16, 2024
Last update December 16, 2024
Defined In https://doi.org/10.48550/arXiv.2401.10216
Author Shengjie Luo
More Authors
Tianlang Chen
Yixian Xu
Shuxin Zheng
Tie-Yan Liu
Di He
Homepage https://doi.org/10.1038/s41598-023-04444-4