Analysis functions for equ free energy - Githubissues

wiederm / endstate_correction

Endstate corrections from MM to QML potential

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

MIT License

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Analysis functions for equ free energy #17

Closed wiederm closed 2 years ago

wiederm commented 2 years ago

Description

Provide convenience functions to analysis staged free energy calculations

Todos

[x] notebook with plotting functions
[x] plotting functions

Status

[ ] Ready to go