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choderalab / perses

Experiments with expanded ensembles to explore chemical space
http://perses.readthedocs.io
MIT License
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[DNM] hack to allow undefined stero when mapping #1167

Closed mikemhenry closed 1 year ago

mikemhenry commented 1 year ago

Wanted to have this bounce off our CI to make sure this doesn't cause problems elsewhere.

codecov[bot] commented 1 year ago

Codecov Report

Merging #1167 (bc9ad4c) into main (f6787e8) will decrease coverage by 0.02%. The diff coverage is 100.00%.

mikemhenry commented 1 year ago

See https://github.com/choderalab/perses/issues/1161 for more details

mikemhenry commented 1 year ago

@ijpulidos has a PR coming in that will do this in a cleaner way.