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Allow specification of mapping dictionary in the pipeline

Open ijpulidos opened this issue 1 year ago • 0 comments

Instead of forcing the perses AtomMapper, we should allow users to specify mapping dictionaries that could be created with external tools in our pipelines.

This is related to https://github.com/choderalab/perses/issues/1204

ijpulidos avatar Nov 06 '23 16:11 ijpulidos