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Revive metatrain pet #344

Merged
merged 13 commits into from
Sep 24, 2024
Merged

Revive metatrain pet #344

merged 13 commits into from
Sep 24, 2024

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abmazitov
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@abmazitov abmazitov commented Sep 24, 2024

Contributor (creator of pull-request) checklist

  • Tests updated (for new features and bugfixes)?
  • Documentation updated (for new features)?
  • Issue referenced (for PRs that solve an issue)?

📚 Documentation preview 📚: https://metatrain--344.org.readthedocs.build/en/344/

@abmazitov abmazitov mentioned this pull request Sep 24, 2024
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@PicoCentauri PicoCentauri left a comment

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just a very minor thing

@@ -49,5 +54,4 @@ training:
DO_GRADIENT_CLIPPING: False
GRADIENT_CLIPPING_MAX_NORM: null # must be overwritten if DO_GRADIENT_CLIPPING is True
USE_SHIFT_AGNOSTIC_LOSS: False # only used when fitting general target. Primary use case: EDOS
ENERGIES_LOSS: per_structure # or per_atom
BALANCED_DATA_LOADER: False
ENERGIES_LOSS: per_structure # per_structure or per_atom
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@PicoCentauri PicoCentauri Sep 24, 2024

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just a single empty line in the end.

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ENERGIES_LOSS: per_structure # per_structure or per_atom
ENERGIES_LOSS: per_structure # per_structure or per_atom

@frostedoyster
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How does the new checkpoint_path work? Does that fix the optimizer and scheduler issues on restarting? And how? I see that it's now an argument of PET

@abmazitov abmazitov merged commit bf50eac into main Sep 24, 2024
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@abmazitov abmazitov deleted the revive-metatrain-pet branch September 24, 2024 15:15
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3 participants