choderalab / feflow

Recipes and protocols for molecular free energy calculations using the openmmtools/perses and Open Free Energy toolkits
MIT License
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[WIP] update for OFE 1.0rc0 #33

Closed IAlibay closed 2 months ago

IAlibay commented 4 months ago

Fixes #31 Depends on #24

TODO:

ijpulidos commented 2 months ago

Closing. Superseded by #38