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apax-hub / apax

A flexible and performant framework for training machine learning potentials.
MIT License
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New Basis function interface #284

Closed M-R-Schaefer closed 1 month ago

M-R-Schaefer commented 1 month ago

Reworked choosing the basis function and added the non-orthogonalized bessel basis of Kocer https://arxiv.org/pdf/1907.02384

I've found it to yield lower validation losses at no extra cost.

M-R-Schaefer commented 1 month ago

pre-commit.ci autofix