A collection of scikit-learn compatible utilities that implement methods born out of the materials science and chemistry communities
BSD 3-Clause "New" or "Revised" License
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Removing kernel optimization from who example #189
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rosecers closed 1 year ago
As I thought in #175, kernel optimization is a serious bottlebeck. @PicoCentauri can you see if this speeds things up significantly?
:books: Documentation preview :books:: https://scikit-matter--189.org.readthedocs.build/en/189/