brucefan1983 / GPUMD

git clone https://github.com/brucefan1983/GPUMD.git

Graphics Processing Units Molecular Dynamics

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forks · 20 open issues

Star history (as recorded here)

2026-10-20 · 856 ★ 2026-10-22 · 857 ★

LanguageCuda

License—

Created2017-07-14 (9y ago)

Last pushtoday

OwnerUser

GitHub topics

cuda gpu gpumd heat-transport high-performance-computing machine-learning machine-learning-potential molecular-dynamics molecular-dynamics-simulation natural-evolution-strategies neural-network neuroevolution phonon physics-simulation simulation

Links

GitHub: github.com/brucefan1983/GPUMD
Homepage: https://gpumd.org/dev
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