OpenFreeEnergy/openfe_analysis: v0.5.0

Changelog for humans

https://openfe-analysis.readthedocs.io/en/latest/CHANGELOG.html#v0-5-0

All PRs included in this release:

• Add api docs by @hannahbaumann in https://github.com/OpenFreeEnergy/openfe_analysis/pull/74
• Change codecov CI to also run on main by @hannahbaumann in https://github.com/OpenFreeEnergy/openfe_analysis/pull/94
• Update .readthedocs.yaml by @mikemhenry in https://github.com/OpenFreeEnergy/openfe_analysis/pull/96
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in https://github.com/OpenFreeEnergy/openfe_analysis/pull/97
• bump github action versions by @atravitz in https://github.com/OpenFreeEnergy/openfe_analysis/pull/98
• Add changelog and rever by @atravitz in https://github.com/OpenFreeEnergy/openfe_analysis/pull/101
• Add mypy to CI by @hannahbaumann in https://github.com/OpenFreeEnergy/openfe_analysis/pull/105
• Refactor RMSD analyses into MDAnalysis AnaysisBase classes by @hannahbaumann in https://github.com/OpenFreeEnergy/openfe_analysis/pull/90
• Handle single frame case in determine_position_indices by @hannahbaumann in https://github.com/OpenFreeEnergy/openfe_analysis/pull/107
• Refactor of universe creation and applying transformations by @hannahbaumann in https://github.com/OpenFreeEnergy/openfe_analysis/pull/93
• Add plotting utils by @hannahbaumann in https://github.com/OpenFreeEnergy/openfe_analysis/pull/106
• Add analysis for symmetry corrected RMSD by @hannahbaumann in https://github.com/OpenFreeEnergy/openfe_analysis/pull/92
• Refactor alignment to allow passing through a list of ligands (for SepTop) by @hannahbaumann in https://github.com/OpenFreeEnergy/openfe_analysis/pull/110
• Release/v0.5 by @hannahbaumann in https://github.com/OpenFreeEnergy/openfe_analysis/pull/111

New Contributors

• @pre-commit-ci[bot] made their first contribution in https://github.com/OpenFreeEnergy/openfe_analysis/pull/97

Full Changelog: https://github.com/OpenFreeEnergy/openfe_analysis/compare/v0.4.0...v0.5.0