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DeePMD dataset

The dataset is used to train and test the DeePMD model for molecular dynamics simulations.

Data and Resources

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Cite this as

Han Wang, Linfeng Zhang, Jiequn Han, Weinan E (2024). Dataset: DeePMD dataset. https://doi.org/10.57702/8k6m8nj2

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Additional Info

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Created December 16, 2024
Last update December 16, 2024
Defined In https://doi.org/10.1016/j.cpc.2018.03.016
Author Han Wang
More Authors
Linfeng Zhang
Jiequn Han
Weinan E
Homepage https://doi.org/10.1038/s41598-018-35735-4