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Modified collate_fn for predicting multiple values per target property with M3GNet model and included a unit test #192
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…x and little cleanup in united tests
…y with M3GNet model and included a unit test
Codecov ReportAll modified and coverable lines are covered by tests ✅
Additional details and impacted files@@ Coverage Diff @@
## main #192 +/- ##
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Coverage 98.59% 98.59%
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Files 28 28
Lines 1926 1926
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Hits 1899 1899
Misses 27 27 ☔ View full report in Codecov by Sentry. |
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Summary
The current framework of collate_fn is only working for a single value per target with the M3GNet model. This pull request modifies the framework such that the M3GNet model can predict multiple values per target and the unit test is added.
Checklist
ruff
.mypy
.duecredit
@due.dcite
decorators to reference relevant papers by DOI (example)Tip: Install
pre-commit
hooks to auto-check types and linting before every commit: