April 2022 Demo
Install
Use this command to install the necessary packages for the notebook:
conda env create openfe/openfe-notebooks
What's Changed
- Add CI and mybinder to Example Notebooks by @mikemhenry in #1
- Setup openmm-rbfe Environment by @mikemhenry in #2
- use new tags for lomap and openfe by @mikemhenry in #6
- Improve performance of
_remove_constraints
by @dwhswenson in #8 - [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #10
- added CITATION file by @mikemhenry in #9
- Updating notebook for april 2022 release by @IAlibay in #11
New Contributors
- @mikemhenry made their first contribution in #1
- @dwhswenson made their first contribution in #8
- @pre-commit-ci made their first contribution in #10
- @IAlibay made their first contribution in #11
Full Changelog: https://github.com/OpenFreeEnergy/ExampleNotebooks/commits/april-2022