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Published 20 hours ago • verified publisher icon choderalab

Migrate thermodynamic trailblazing to openmmtools

Open jchodera opened this issue 1 year ago • 0 comments

We should migrate the thermodynamic trailblazing code to openmmtools, along with the relevant tests of this functionality. We could use this for relative and absolute free energy calculations.

cc @dominicrufa

jchodera avatar Jul 21 '22 17:07 jchodera