Is your feature request related to a problem? Please describe.
AtomMappingScorer is implemented and used in Industry Benchmarks, konnektor, kartograf, and ruler: https://github.com/search?q=org%3AOpenFreeEnergy%20atommappingscorer&type=code
Describe the solution you'd like
This class should probably live in gufe, as expressed in #346. Though I believe we can add AtomMappingScorer before digging into the other items in PR#346.
Describe alternatives you've considered
We could define AtomMappingScorer directly in konnektor, but that's more code duplication.
Is your feature request related to a problem? Please describe.
AtomMappingScoreris implemented and used in Industry Benchmarks, konnektor, kartograf, and ruler: https://github.com/search?q=org%3AOpenFreeEnergy%20atommappingscorer&type=codeDescribe the solution you'd like
This class should probably live in gufe, as expressed in #346. Though I believe we can add
AtomMappingScorerbefore digging into the other items in PR#346.Describe alternatives you've considered
We could define
AtomMappingScorerdirectly in konnektor, but that's more code duplication.