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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Also save models in the `outputs/` directory #369

Closed frostedoyster closed 3 weeks ago

frostedoyster commented 1 month ago

Solves #309

Contributor (creator of pull-request) checklist

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

📚 Documentation preview 📚: https://metatrain--369.org.readthedocs.build/en/369/