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feat: add orb-models support to mlp recipes #2574
feat: add orb-models support to mlp recipes #2574
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Can one of the admins verify this patch? |
Codecov ReportAll modified and coverable lines are covered by tests ✅
Additional details and impacted files@@ Coverage Diff @@
## main #2574 +/- ##
=======================================
Coverage 97.32% 97.33%
=======================================
Files 85 85
Lines 3554 3564 +10
=======================================
+ Hits 3459 3469 +10
Misses 95 95 ☔ View full report in Codecov by Sentry. |
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@mamunm Thanks for your contribution! Some comments below.
Tests in MLPS are failing because |
Hmm, it should be able to I think? I do so here https://github.com/Quantum-Accelerators/quacc/pull/2384/files |
…ch works on my local computer with uv pip install
…to dwastberg's fork for consistency
Thank you for the changes, @mamunm! This looks good to me now! Let me know when you are happy to merge. |
@Andrew-S-Rosen Thanks for the review! I am happy to merge it. |
Summary of Changes
Added orb-models to the MLP recipes based on issue #2429.
Key changes include:
Requirements
-[X] My PR is focused on a single feature addition [#2429 ].
-[X] My PR has relevant, comprehensive unit tests.
-[X] My PR is on a custom branch (feature/orbnet-models).
Note to the reviewer:
rel
flag to limit the accuracy of the pytest comparison. I set it to1e-4
after some failed checks.