OpenFreeEnergy / kartograf

This package contains tools for setting up hybrid-topology FE calculations
https://kartograf.readthedocs.io/
MIT License
25 stars 2 forks source link

Update Install Instructions + May Other Fixes #29

Closed mikemhenry closed 11 months ago

codecov[bot] commented 11 months ago

Codecov Report

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

Comparison is base (7ebe8ff) 96.49% compared to head (b092f27) 96.52%.

Additional details and impacted files ```diff @@ Coverage Diff @@ ## main #29 +/- ## ========================================== + Coverage 96.49% 96.52% +0.03% ========================================== Files 13 13 Lines 571 576 +5 ========================================== + Hits 551 556 +5 Misses 20 20 ```

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mikemhenry commented 11 months ago

image I will do the colab stuff in a different PR, it looks like the API changed a bit and there is more precision in these values than makes sense, but I don't think that is a deal breaker