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cherry picked changes from other PRs#291

Merged
wiederm merged 6 commits intomainfrom
dev-cherriepick
Oct 20, 2024
Merged

cherry picked changes from other PRs#291
wiederm merged 6 commits intomainfrom
dev-cherriepick

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@wiederm
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@wiederm wiederm commented Oct 20, 2024

Pull Request Summary

This PR includes only refactoring changes from PR #266 and #281 . PR #266 will need more time to finish documentation and #266 can be closed after this.

Key changes

  • Reformulate the ANI2x triplet index generation based on lessons learned from memory profiling
  • change name of loss_property to loss_components

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codecov-commenter commented Oct 20, 2024

Codecov Report

Attention: Patch coverage is 97.72727% with 1 line in your changes missing coverage. Please review.

Project coverage is 84.94%. Comparing base (59edb03) to head (b6f957a).
Report is 7 commits behind head on main.

Additional details and impacted files

@wiederm wiederm merged commit 6b0c464 into main Oct 20, 2024
@wiederm wiederm deleted the dev-cherriepick branch October 20, 2024 12:37
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