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Add project: IPSuite - Python toolkit for FAIR development and deployment of MLPs #298

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merged 2 commits into from
Jun 13, 2024

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PythonFZ
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@PythonFZ PythonFZ commented Jun 13, 2024

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:

In this PR I introduce IPSuite. A framework for MLP development that includes many different utility functions and provides interfaces to MLP packages. It builds on top of ASE and ZnTrack.

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 mentioned this pull request Jun 13, 2024
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@Irratzo Irratzo merged commit f703146 into JuDFTteam:main Jun 13, 2024
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Irratzo commented Jun 13, 2024

Hi @PythonFZ! Thanks for your project addition to the Active learning category.

I was considering cleaning up the categorization. The category-project distribution is too uneven. The "Active learning" category might disappear, the projects there would be resorted into another category, but retain that label. I would be very grateful if you could have a look at the issue, and maybe chip in your thoughts #301 🙏.

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Irratzo commented Jun 13, 2024

Very cool project, by the way!

@PythonFZ PythonFZ deleted the patch-2 branch June 13, 2024 15:23
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2 participants