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OpenFreeEnergy / feflow

Recipes and protocols for molecular free energy calculations using the openmmtools/perses and Open Free Energy toolkits
MIT License
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[DNM] Feature noneq cycling extends #46

Closed mikemhenry closed 4 weeks ago

mikemhenry commented 7 months ago

see #44 this is a trick to get CI to run

codecov-commenter commented 7 months ago

Codecov Report

Attention: Patch coverage is 92.75362% with 5 lines in your changes are missing coverage. Please review.

Project coverage is 86.50%. Comparing base (05ab4bc) to head (1d46275). Report is 5 commits behind head on main.

Files Patch % Lines
feflow/protocols/nonequilibrium_cycling.py 91.07% 5 Missing :warning:
Additional details and impacted files ```diff @@ Coverage Diff @@ ## main #46 +/- ## ========================================== - Coverage 92.06% 86.50% -5.57% ========================================== Files 7 8 +1 Lines 416 1430 +1014 ========================================== + Hits 383 1237 +854 - Misses 33 193 +160 ```

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ijpulidos commented 4 weeks ago

Just FYI, this is a PR made to CI test the changes from the original fork from @ianmkenney