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[WIP] Move ligand atom mapper from openfe to gufe#693

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add_ligand_atom_mapper
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[WIP] Move ligand atom mapper from openfe to gufe#693
atravitz wants to merge 10 commits intomainfrom
add_ligand_atom_mapper

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@atravitz atravitz commented Dec 12, 2025

related to OpenFreeEnergy/openfe#1617

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@atravitz atravitz marked this pull request as draft December 12, 2025 23:05
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codecov bot commented Dec 12, 2025

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 98.76%. Comparing base (30e0c53) to head (6d75613).

Additional details and impacted files
@@           Coverage Diff           @@
##             main     #693   +/-   ##
=======================================
  Coverage   98.76%   98.76%           
=======================================
  Files          40       41    +1     
  Lines        2508     2519   +11     
=======================================
+ Hits         2477     2488   +11     
  Misses         31       31           

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@atravitz atravitz force-pushed the add_ligand_atom_mapper branch from d3c8e9e to 69e8b39 Compare December 18, 2025 17:40
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No API break detected ✅

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