wiederm / endstate_correction

Endstate corrections from MM to QML potential

https://wiederm.github.io/endstate_correction/

MIT License

10 stars 1 forks source link

Better plots for results #54

Closed wiederm closed 1 year ago

wiederm commented 1 year ago

Description

Notebook provides functions for plotting work distributions for NEQ/FEP and uni-/bidirectional free energy estimates combined with the EQU free energy for comparision.

Status

[x] Ready to go

codecov-commenter commented 1 year ago

Codecov Report

Merging #54 (b1c2ea5) into main (b9935d4) will increase coverage by 0.18%. The diff coverage is 75.00%.

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Additional details and impacted files