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This app is still under early testing and not really for use outside of the Warren Lab

The DeePMD App

The Deep Potential for Molecular Dynamics (DeePMD) is a package that builds machine-learned interatomic potentials from energy and force-field data. These machine-learned potentials are particularlly powerful when trained on DFT data and then subsequently used to run molecular dynamics simulations.

The code is free and open-source.