openkim / kliff

KIM-based Learning-Integrated Fitting Framework for interatomic potentials.
https://kliff.readthedocs.io
GNU Lesser General Public License v2.1
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Kliff DNN torch trainer #185

Closed ipcamit closed 1 month ago

ipcamit commented 1 month ago

Summary

Added tests and trainer for training generic dense neural networks using libdescriptor and pytorch (as opposed to lightning).

TODO (if any)

Checklist

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mjwen commented 1 month ago

Looks great! Merged.