cbc-univie / transformato

Set up relative free energy calculations using a common scaffold
https://cbc-univie.github.io/transformato/
MIT License
22 stars 6 forks source link

Dev #5

Closed wiederm closed 5 years ago

wiederm commented 5 years ago

Description

Implements postprocessing purely in python. An example notebook is provided in notebooks/example.ipynb

Todos

Status