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GPUMD
Cuda

GPUMD

Graphics Processing Units Molecular Dynamics

by brucefan1983 · GitHub
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Cuda
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cudagpugpumdGPL-3.0Cuda
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In plain words

Run molecular dynamics simulations using your GPU to study heat transport and other molecular behaviors.

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812811
2026-07-202026-08-31
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📄 About

Graphics Processing Units Molecular Dynamics

GPUMD has 811 stars on GitHub. It has been forked 199 times. GPUMD is written mainly in Cuda. It has been in active development since 2017. GPUMD is available under the GPL-3.0 license. Its main topics are cuda, gpu, gpumd, heat-transport.

Frequently asked questions

What is GPUMD?

Graphics Processing Units Molecular Dynamics

Is GPUMD open source?

GPUMD is an open-source project. It is released under the GPL-3.0 license.

Is GPUMD free?

Yes. GPUMD is free and open source — you can use, modify and self-host it. Its GPL-3.0 license is copyleft: if you distribute a modified version, it must remain under the same license.

What license does GPUMD use?

GPUMD is available under the GPL-3.0 license.

What language is GPUMD written in?

GPUMD is written mainly in Cuda.

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