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refactor and deprecate old equiformerv2 #812

Merged
merged 12 commits into from
Aug 21, 2024
Merged

refactor and deprecate old equiformerv2 #812

merged 12 commits into from
Aug 21, 2024

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misko
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@misko misko commented Aug 15, 2024

Moving forward equiformer v2 should be invoked through hydra using both a head and backbone. This moves the original code (required to load from a checkpoint) to a deprecated status.

@misko misko added enhancement New feature or request patch Patch version release labels Aug 15, 2024
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codecov bot commented Aug 15, 2024

Codecov Report

Attention: Patch coverage is 88.16327% with 29 lines in your changes missing coverage. Please review.

Files Patch % Lines
...e/models/equiformer_v2/equiformer_v2_deprecated.py 91.15% 20 Missing ⚠️
...airchem/core/models/equiformer_v2/equiformer_v2.py 50.00% 9 Missing ⚠️
Files Coverage Δ
src/fairchem/core/models/equiformer_v2/__init__.py 100.00% <100.00%> (ø)
...airchem/core/models/equiformer_v2/equiformer_v2.py 80.91% <50.00%> (-8.02%) ⬇️
...e/models/equiformer_v2/equiformer_v2_deprecated.py 91.15% <91.15%> (ø)

@misko misko marked this pull request as ready for review August 15, 2024 22:03
@misko misko requested a review from rayg1234 August 15, 2024 22:03
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rayg1234 commented Aug 17, 2024

Thanks for doing this! minor ask: can you also separate the tests to test_equiformers_v2_deprecated and test_equiformers_v2 (https://github.com/FAIR-Chem/fairchem/blob/main/tests/core/models/test_equiformer_v2.py) this way someone can just delete the *deprecated.py without accidentally deleting the activation checkpointing test or new tests on the backbone/hydra only for example

@misko misko added this pull request to the merge queue Aug 21, 2024
Merged via the queue into main with commit 427fb8d Aug 21, 2024
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@misko misko deleted the refactor_equiv2 branch August 21, 2024 01:02
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2 participants