OpenFreeEnergy / OpenFreeEnergy/openfe

Move LigandAtomMapper to gufe? Or remove?

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#1,617 2 comments 0 reactions 1 assignee View on GitHub

@atravitz is already working on this.

Since Dec 18, 2025.

Dominant language
Python
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Description

We have a :class:LigandAtomMapper in openfe.setup.atom_mapping, which is solely used for the PersesAtomMapper and some tests. LomapAtomMapper and KartografAtomMapper don't use it.

This feels like a class that doesn't need to exist?

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