metatensor / metatrain

Training and evaluating machine learning models for atomistic systems.
https://metatensor.github.io/metatrain/
BSD 3-Clause "New" or "Revised" License
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Add MAE logging #361

Closed frostedoyster closed 1 month ago

frostedoyster commented 1 month ago

Implements logging of MAEs. This is optional during training, and it defaults to False due to the already large amount of information being printed (training/validation loss/energy/force/stress etc). During evaluation, it will always be displayed, as there are way fewer things to print

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📚 Documentation preview 📚: https://metatrain--361.org.readthedocs.build/en/361/

abmazitov commented 1 month ago

Thank you @frostedoyster! This looks good to me and I think we can merge without hesitation