What's Changed one back tick too many by @mikemhenry in https://github.com/OpenFreeEnergy/Lomap/pull/69 Switch to setuptools_scm by @mikemhenry in https://github.com/OpenFreeEnergy/Lomap/pull/72 Ensure PEP-639 Support by @mikemhenry in https://github.com/OpenFreeEnergy/Lomap/pull/84 fix docs memory build error by @atravitz in https://github.com/OpenFreeEnergy/Lomap/pull/85 Add necessary files for rever changelog by @IAlibay in https://github.com/OpenFreeEnergy/Lomap/pull/86 update CI workflow versions by @atravitz in https://github.com/OpenFreeEnergy/Lomap/pull/87 add CHANGELOG in index - fix docs build by @atravitz in https://github.com/OpenFreeEnergy/Lomap/pull/90 Adapt default charge change score to allow for charge changing transformations by @hannahbaumann in https://github.com/OpenFreeEnergy/Lomap/pull/83 switch to src/ layout by @atravitz in https://github.com/OpenFreeEnergy/Lomap/pull/81 let setuptools auto detect pkg layout and remove deps by @mikemhenry in https://github.com/OpenFreeEnergy/Lomap/pull/91 Change default max3d value to 1.0 by @IAlibay in https://github.com/OpenFreeEnergy/Lomap/pull/94 Docs/fixes by @IAlibay in https://github.com/OpenFreeEnergy/Lomap/pull/95 Update CI file by @IAlibay in https://github.com/OpenFreeEnergy/Lomap/pull/124 Add pre-commit & ruff by @IAlibay in https://github.com/OpenFreeEnergy/Lomap/pull/126 Fix logging message for MCS molecules by @IAlibay in https://github.com/OpenFreeEnergy/Lomap/pull/131 Linter changes by @IAlibay in https://github.com/OpenFreeEnergy/Lomap/pull/130 Type checking & fixing typing issues by @IAlibay in https://github.com/OpenFreeEnergy/Lomap/pull/125 Ignore linting PR in git blame by @IAlibay in https://github.com/OpenFreeEnergy/Lomap/pull/132 Make gufe optional by @IAlibay in https://github.com/OpenFreeEnergy/Lomap/pull/134 Fix various typos by @IAlibay in https://github.com/OpenFreeEnergy/Lomap/pull/135 Deprecate the fp module by @IAlibay in https://github.com/OpenFreeEnergy/Lomap/pull/136 Remove unused test code in mcs.py by @IAlibay in https://github.com/OpenFreeEnergy/Lomap/pull/137 Deprecate dbmol CLI by @IAlibay in https://github.com/OpenFreeEnergy/Lomap/pull/139 Docs for installing optional dependencies and better handling of pygraphviz optional deps by @IAlibay in https://github.com/OpenFreeEnergy/Lomap/pull/141 [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in https://github.com/OpenFreeEnergy/Lomap/pull/143 Small updates to py311+ by @IAlibay in https://github.com/OpenFreeEnergy/Lomap/pull/145 Fix gufe mncar score by @IAlibay in https://github.com/OpenFreeEnergy/Lomap/pull/148 Docstring fixes for gufe bindings methods by @IAlibay in https://github.com/OpenFreeEnergy/Lomap/pull/142 Typing and docstring fixes to mcs.py by @IAlibay in https://github.com/OpenFreeEnergy/Lomap/pull/150 Clean up init a little bit by @IAlibay in https://github.com/OpenFreeEnergy/Lomap/pull/152 Change MCS seed parameter type to optional string in MCS by @IAlibay in https://github.com/OpenFreeEnergy/Lomap/pull/156 Add dependencies back into pyproject.toml by @IAlibay in https://github.com/OpenFreeEnergy/Lomap/pull/153 Remove legacy examples by @IAlibay in https://github.com/OpenFreeEnergy/Lomap/pull/159 Error or warn if we have a disconnected network by @IAlibay in https://github.com/OpenFreeEnergy/Lomap/pull/154 Typing and docstring fixes for graphgen by @IAlibay in https://github.com/OpenFreeEnergy/Lomap/pull/151 Duecredit remaining tasks by @IAlibay in https://github.com/OpenFreeEnergy/Lomap/pull/158 Update typing and docstrings for dbmol by @IAlibay in https://github.com/OpenFreeEnergy/Lomap/pull/160 Add PR template by @IAlibay in https://github.com/OpenFreeEnergy/Lomap/pull/164 Fix PR template by @IAlibay in https://github.com/OpenFreeEnergy/Lomap/pull/165 Update authors list by @IAlibay in https://github.com/OpenFreeEnergy/Lomap/pull/166 Migrate LomapAtomMapper testing to the gufe mixin by @IAlibay in https://github.com/OpenFreeEnergy/Lomap/pull/157 Update README.md by @hannahbaumann in https://github.com/OpenFreeEnergy/Lomap/pull/162 Add getting started docs by @hannahbaumann in https://github.com/OpenFreeEnergy/Lomap/pull/163 Add main citation for Lomap by @IAlibay in https://github.com/OpenFreeEnergy/Lomap/pull/146 v3.3 pre-release by @IAlibay in https://github.com/OpenFreeEnergy/Lomap/pull/168 Full Changelog: https://github.com/OpenFreeEnergy/Lomap/compare/v3.2.1...v3.3.0