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Add support for more foundation models #2429

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Andrew-S-Rosen opened this issue Aug 17, 2024 · 0 comments
Open

Add support for more foundation models #2429

Andrew-S-Rosen opened this issue Aug 17, 2024 · 0 comments
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enhancement New feature or request good-first-issue

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@Andrew-S-Rosen
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Andrew-S-Rosen commented Aug 17, 2024

What new feature would you like to see?

We should add the pre-trained SevenNet MLP to the supported MLP methods since it performs so well on https://matbench-discovery.materialsproject.org.

This would entail adding it as a supported calculator method in quacc.recipes.mlp._base.pick_calculator, updating the method type hints in the quacc.recipes.mlp functions to include SevenNet, adding some tests to the test suite, and adding sevenn to pyproject.toml.

Also see https://github.com/orbital-materials/orb-models.

@Andrew-S-Rosen Andrew-S-Rosen changed the title Add support for SevenNet Add support for SevenNet and OrbNet Sep 3, 2024
@Andrew-S-Rosen Andrew-S-Rosen changed the title Add support for SevenNet and OrbNet Add support for more foundation models Oct 11, 2024
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Labels
enhancement New feature or request good-first-issue
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