deepmodeling /

DeePMD-kit

Dynamics · physics · Dynamics · simulationCopyleft

GitHub ↗Paper ↗Try it on my computer

★: 2,070
Updated: 2d ago
Licence: LGPL-3
Published: 2018
Language: Python

Summary

Deep learning many-body potential molecular dynamics

Input and output

Details

Access: Code link found
The paper or list names a code repository. The repository itself was not opened.
Usage signal: ★ 2,070 · Python
Last commit 2026-10-27
Published: 2018
The year the source list gave; the exact date was not checked.
Identifiers: doi:10.1016/j.cpc.2018.03.016

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Run it on your computer

Can be tried on: Apple Silicon Mac · Intel Mac · Linux (x86-64)

Try it on my computer

No recipe: the engine tries an automatic setup on this computer from a plan read from the repository.

Where to get it

GitHub ↗github.com/deepmodeling/deepmd-kit Paper ↗doi.org/10.1016/j.cpc.2018.03.016

Licence

LGPL-3.0

Derivatives must be published under the same terms. Check the terms with the host before use.

Cite

Copy as BibTeX and paste it into your paper.

@software{deepmdkit2018,
  title = {{DeePMD-kit}},
  author = {deepmodeling},
  year = {2018},
  url = {https://github.com/deepmodeling/deepmd-kit},
  doi = {10.1016/j.cpc.2018.03.016},
  note = {Listed on Modelome: https://modelome.curieus.net/entry/deepmd-kit-fa2d4e14a5/}
}

README badge

Add it to the repository's README to link back here.

[![Listed on Modelome](https://img.shields.io/badge/Modelome-listed-B05100)](https://modelome.curieus.net/entry/deepmd-kit-fa2d4e14a5/)