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lanl / hippynn

python library for atomistic machine learning
https://lanl.github.io/hippynn/
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06102024 add optimizer/ with batch FIRE algorithm implemented with py… #78

Closed amateurcat closed 3 weeks ago

amateurcat commented 3 weeks ago

…torch

also a hippynn wrapper under init.py

lubbersnick commented 3 weeks ago

Thanks, this is a nice feature to add. We may move it to a new location ultimately. Another thing that would be nice to have eventually would be an example of the usage.