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neuroevolution-potential

Here are 3 public repositories matching this topic...

brucefan1983 / NEP_CPU

CPU version of NEP

neuroevolution nep gpumd pynep neuroevolution-potential machine-learned-potential calorine

Updated Nov 10, 2024
C++

initqp / somd

Molecular dynamics package designed for the SIESTA DFT code.

molecular-dynamics siesta aimd neuroevolution-potential

Updated Nov 4, 2024
Python

zhyan0603 / GPUMDkit

A Toolkit for GPUMD&NEP

gpumd neuroevolution-potential

Updated Oct 28, 2024
Shell

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