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perses has some handy methods attaching to its AtomMapping class, notably
versions of these should be migrated to gufe's LigandAtomMapping, preferably implemented using rdkit
The text was updated successfully, but these errors were encountered:
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perses has some handy methods attaching to its AtomMapping class, notably
versions of these should be migrated to gufe's LigandAtomMapping, preferably implemented using rdkit
The text was updated successfully, but these errors were encountered: