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DeePMD testing dataset

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

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Cite this as

Han Wang, Linfeng Zhang, Jiequn Han, Weinan E (2024). Dataset: DeePMD testing dataset. https://doi.org/10.57702/ta0u9e7p

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It is available for use in manuscripts, and will be published when the Dataset is made public.

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