scikit-learn-contrib / scikit-matter

A collection of scikit-learn compatible utilities that implement methods born out of the materials science and chemistry communities
https://scikit-matter.readthedocs.io/en/v0.2.0/
BSD 3-Clause "New" or "Revised" License
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Sparse KDE #221

Closed GardevoirX closed 4 months ago

GardevoirX commented 4 months ago

This PR introduces SparseKDE:

I am not sure if the current API of SparseKDE is OK and if the auxiliary classes should be integrated into SparseKDE. Also, SparseKDE seems to be too large and complex. Perhaps it needs to be decomposed into smaller parts, but I have not figured out how.

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📚 Documentation preview 📚: https://scikit-matter--221.org.readthedocs.build/en/221/

PicoCentauri commented 4 months ago

Thanks @GardevoirX for this work. I will take a look asap.