You're currently viewing an old version of this dataset. To see the current version, click here.

DeePMD dataset

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

Data and Resources

Cite this as

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

DOI retrieved: December 16, 2024

Additional Info

Field Value
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