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Published 20 hours ago • verified publisher icon choderalab

Add some A->B and B->A consistency tests to our GPU CI

Open mikemhenry opened this issue 2 years ago • 2 comments

https://github.com/choderalab/perses/issues/958#issuecomment-1062394797

mikemhenry avatar Mar 09 '22 00:03 mikemhenry

We need a small molecule example code (in vacuum) that does A to B and B to A so we can plug it in our CI tests. @dominicrufa can you help us with this? Thanks!

ijpulidos avatar May 23 '22 20:05 ijpulidos

^*small molecule example

zhang-ivy avatar May 23 '22 20:05 zhang-ivy