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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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Cleaning imports and adding dependencies #10

Closed ijpulidos closed 7 months ago

ijpulidos commented 8 months ago

Cleaning unused imports and adding explicitly used dependencies to the CI/test environment file.

Resolves #9

ijpulidos commented 8 months ago

We need to fix #11 that should fix the tests with the current openfe 0.14.0 release, before merging this one.

codecov-commenter commented 7 months ago

Codecov Report

All modified and coverable lines are covered by tests :white_check_mark:

:exclamation: No coverage uploaded for pull request base (main@6c17003). Click here to learn what that means.

Additional details and impacted files ```diff @@ Coverage Diff @@ ## main #10 +/- ## ======================================= Coverage ? 92.06% ======================================= Files ? 7 Lines ? 416 Branches ? 0 ======================================= Hits ? 383 Misses ? 33 Partials ? 0 ```

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