Changelog for humans https://cinnabar.openfree.energy/en/latest/CHANGELOG.html#v0-6-0 All PRs included in this release: Update project to use pyproject.toml by @jthorton in https://github.com/OpenFreeEnergy/cinnabar/pull/154 Add basic landing page by @jthorton in https://github.com/OpenFreeEnergy/cinnabar/pull/156 Duecredit for the MLE method by @jthorton in https://github.com/OpenFreeEnergy/cinnabar/pull/155 add rever for the changelog by @jthorton in https://github.com/OpenFreeEnergy/cinnabar/pull/159 add pre-commit for formatting and lint by @jthorton in https://github.com/OpenFreeEnergy/cinnabar/pull/157 remove old arsenic code by @jthorton in https://github.com/OpenFreeEnergy/cinnabar/pull/158 Core concepts by @jthorton in https://github.com/OpenFreeEnergy/cinnabar/pull/162 Fraction of best ligands by @jthorton in https://github.com/OpenFreeEnergy/cinnabar/pull/164 Fix DG and DDG spacing in plots by @jthorton in https://github.com/OpenFreeEnergy/cinnabar/pull/167 Update the readme by @jthorton in https://github.com/OpenFreeEnergy/cinnabar/pull/166 add api tutorials by @jthorton in https://github.com/OpenFreeEnergy/cinnabar/pull/160 Fix and expand tests by @jthorton in https://github.com/OpenFreeEnergy/cinnabar/pull/170 Raise an error when we have repeated edge results by @jthorton in https://github.com/OpenFreeEnergy/cinnabar/pull/178 Add ECDF plots based on industry benchmarks by @jthorton in https://github.com/OpenFreeEnergy/cinnabar/pull/172 [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in https://github.com/OpenFreeEnergy/cinnabar/pull/169 Remove unused example notebooks by @jthorton in https://github.com/OpenFreeEnergy/cinnabar/pull/184 Test MLE order dependence by @jthorton in https://github.com/OpenFreeEnergy/cinnabar/pull/191 Add affinity unit conversion function by @jthorton in https://github.com/OpenFreeEnergy/cinnabar/pull/182 Update errors by @jthorton in https://github.com/OpenFreeEnergy/cinnabar/pull/185 Expose stats by @jthorton in https://github.com/OpenFreeEnergy/cinnabar/pull/186 Raise an error for zero uncertainties in the MLE solver by @jthorton in https://github.com/OpenFreeEnergy/cinnabar/pull/177 Align all dataframes by @jthorton in https://github.com/OpenFreeEnergy/cinnabar/pull/192 Add predictive index metric by @jthorton in https://github.com/OpenFreeEnergy/cinnabar/pull/194 [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in https://github.com/OpenFreeEnergy/cinnabar/pull/199 bump github action versions by @atravitz in https://github.com/OpenFreeEnergy/cinnabar/pull/200 Drop pydantic use by @jthorton in https://github.com/OpenFreeEnergy/cinnabar/pull/190 Add support for other estimators by @jthorton in https://github.com/OpenFreeEnergy/cinnabar/pull/193 Add pairwise all-to-all analysis by @jthorton in https://github.com/OpenFreeEnergy/cinnabar/pull/187 test python 3.13 in CI by @atravitz in https://github.com/OpenFreeEnergy/cinnabar/pull/197 Add CI to ecdf plots using bootstrapping by @jthorton in https://github.com/OpenFreeEnergy/cinnabar/pull/201 add mypy to CI by @jthorton in https://github.com/OpenFreeEnergy/cinnabar/pull/209 Support pIC50 units on dataframes by @jthorton in https://github.com/OpenFreeEnergy/cinnabar/pull/208 Add ECDF plotting tutorial by @jthorton in https://github.com/OpenFreeEnergy/cinnabar/pull/206 Update plot functions to work with FEMap by @jthorton in https://github.com/OpenFreeEnergy/cinnabar/pull/212 Add ability to highlight edges in the draw_graph function by @hannahbaumann in https://github.com/OpenFreeEnergy/cinnabar/pull/203 expose _master_plot as pair_plot, add guideline customization by @jthorton in https://github.com/OpenFreeEnergy/cinnabar/pull/204 Support pic50 units in all plot types by @jthorton in https://github.com/OpenFreeEnergy/cinnabar/pull/213 Add graph edge highlights to docs by @jthorton in https://github.com/OpenFreeEnergy/cinnabar/pull/216 Add functions to calculate cycle closure by @hannahbaumann in https://github.com/OpenFreeEnergy/cinnabar/pull/107 Add docs for manual stats calculations outside of plots by @jthorton in https://github.com/OpenFreeEnergy/cinnabar/pull/215 Prep v0.6.0 by @jthorton in https://github.com/OpenFreeEnergy/cinnabar/pull/222 New Contributors @jthorton made their first contribution in https://github.com/OpenFreeEnergy/cinnabar/pull/154 @pre-commit-ci[bot] made their first contribution in https://github.com/OpenFreeEnergy/cinnabar/pull/169 Full Changelog: https://github.com/OpenFreeEnergy/cinnabar/compare/0.5.0...0.6.0