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Add project: apax: Atomistic learned Potentials in JAX! #268

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merged 2 commits into from
May 1, 2024

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PythonFZ
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What kind of change does this PR introduce?

  • Add a project
  • Update a project
  • Remove a project
  • Add or update a category
  • Change configuration
  • Documentation
  • Other, please describe:

Description:
apax is a high-performance, extendable package for training of and inference with atomistic neural networks.
It implements the Gaussian Moment Neural Network model [2, 3].
It is based on JAX and uses JaxMD as a molecular dynamics engine.

Checklist:

  • I have read the CONTRIBUTING guidelines.
  • I have not modified the README.md file. Projects are only supposed to be added or updated within the projects.yaml file since the README.md file is automatically generated.

@Irratzo Irratzo merged commit 344caf0 into JuDFTteam:main May 1, 2024
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@Irratzo Irratzo mentioned this pull request May 1, 2024
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Irratzo commented May 1, 2024

Thanks for the addition @PythonFZ! I will add you as co-author with your ORCiD in the next release, see #256. This month, hopefully.

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Irratzo commented Jun 13, 2024

@PythonFZ, I added you to CITATION.cff. Hope that's okay, and thanks again.

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2 participants