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

Closed JohannesKarwou closed 2 years ago

JohannesKarwou commented 2 years ago

Some changes to make transformato easier to use:

minor changes in _show_common_core that also bigger molecules are looking good
make plot size smaller so the axis labeling can be read

codecov-commenter commented 2 years ago

Codecov Report

Merging #96 (2680e8f) into master (bb7e404) will increase coverage by 0.83%. The diff coverage is 90.90%.

Additional details and impacted files