search

apax-hub / apax

A flexible and performant framework for training machine learning potentials.
MIT License
15 stars 2 forks source link

refactored distance computation, added feature model #285

Closed M-R-Schaefer closed 2 months ago

M-R-Schaefer commented 3 months ago

I need the feature model for the enhanced sampling. Refactored the distance computation out of the model implementaitons