JuDFTteam / best-of-atomistic-machine-learning

🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.
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Add project: `IPSuite` - Python toolkit for FAIR development and deployment of MLPs #298

Closed PythonFZ closed 5 months ago

PythonFZ commented 5 months ago

What kind of change does this PR introduce?

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:

Irratzo commented 5 months ago

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 🙏.

Irratzo commented 5 months ago

Very cool project, by the way!