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Summary

https://www.nature.com/articles/s41467-025-65662-7

Model Reference

https://huggingface.co/lab-cosmo/pet-mad

Linked issue

Resolves #243

Progress

  • Model configuration
  • Documentation

Testing

All current test, except elasticity due to the time to run.

It fails elemental_slab_oxygen_adsorption due to a missing element, but otherwise appears to work with all tests.

@ElliottKasoar ElliottKasoar added the new model Proposals and suggestions for new models to test label Jan 6, 2026
@ElliottKasoar ElliottKasoar merged commit 58351fb into ddmms:main Jan 8, 2026
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@ElliottKasoar ElliottKasoar deleted the add-pet-mad branch January 8, 2026 15:13
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new model Proposals and suggestions for new models to test

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add PET-MAD to models

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