FairChemModel Updates: PBC handling, test on OMat24 pre-trained model #126
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CompRhys
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Apr 9, 2025
CompRhys
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Apr 9, 2025
CompRhys
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Apr 10, 2025
AdeeshKolluru
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CompRhys
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Apr 11, 2025
orionarcher
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Apr 11, 2025
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One comment on testing, LGTM other than that, thanks @AdeeshKolluru!
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| os.environ.get("HF_TOKEN") is None, | ||
| reason="Issues in graph construction of older models", | ||
| )( | ||
| make_validate_model_outputs_test( | ||
| model_fixture_name="fairchem_model", | ||
| model_fixture_name="fairchem_model_pbc", | ||
| ) | ||
| ) |
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From CI:
tests/models/test_fairchem.py .............s [100%]
It looks like this is being skipped in practice, could you modify the setup to get it running? It's a valuable check to have.
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Ok, I've added the HF_TOKEN to the secrets and this test should work now
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Summary
Will include tests with OMat models as in quacc in the next PR.
Checklist
Run ruff on your code.