v1.0.0 - First stable release

What's Changed

• Readonly settings by @richardjgowers in #169
• Remove settings remove_com from OpenMMSystemGeneratorFFSettings (added to openfe IntegratorSettings) by @hannahbaumann in #275
• Api docs by @richardjgowers in #277
• Move settings from SystemSettings to ForcefieldSettings by @hannahbaumann in #276
• Test latest openff-toolkit with gufe main by @mikemhenry in #281
• fixes issue #263 by @richardjgowers in #283
• Bump CodeCov action by @mattwthompson in #285
• Issue 170 lam validators by @richardjgowers in #287
• Doc push by @richardjgowers in #289
• Add rever for changelog by @richardjgowers in #290
• Add UUID JSON codec by @hmacdope in #294
• Dep warnings for dict mapping by @richardjgowers in #296
• Update default off version to 2.1.1 by @IAlibay in #304
• Adding CA ions to parsing list - proteincomponent.py by @RiesBen in #265

New Contributors

• @hannahbaumann made their first contribution in #275
• @mattwthompson made their first contribution in #285
• @hmacdope made their first contribution in #294

Full Changelog: v0.10.0...v1.0.0

v1.0.0rc0

What's Changed

• Readonly settings by @richardjgowers in #169
• Remove settings remove_com from OpenMMSystemGeneratorFFSettings (added to openfe IntegratorSettings) by @hannahbaumann in #275
• Api docs by @richardjgowers in #277
• Move settings from SystemSettings to ForcefieldSettings by @hannahbaumann in #276
• Test latest openff-toolkit with gufe main by @mikemhenry in #281
• fixes issue #263 by @richardjgowers in #283
• Bump CodeCov action by @mattwthompson in #285
• Issue 170 lam validators by @richardjgowers in #287
• Doc push by @richardjgowers in #289

New Contributors

• @hannahbaumann made their first contribution in #275
• @mattwthompson made their first contribution in #285

Full Changelog: v0.10.0...v1.0.0rc0

v0.10.0 - Gearing up for v1.0

What's Changed

• Versioning and migration for GufeTokenizables by @dwhswenson in #227
• adding mol name labels from ofe-name to mapping vis by @RiesBen in #241
• Don't run conda_cron on PRs by @dwhswenson in #256
• External resource updates by @dwhswenson in #257
• Support name in SmallMoleculeComponent.copy_with_replacements by @dwhswenson in #273
• makes AtomMappers subclass from GufeTokenizable by @richardjgowers in #266
• change signature of Protocol.create to have a list of ComponentMappings by @richardjgowers in #260

Full Changelog: 0.9.5...v0.10.0

v0.9.5 - Serialization hotfix

What's Changed

• Fix quantity array codec by @richardjgowers in #236
• Switch to OFE theme by @Yoshanuikabundi in #242
• Clarify "DAG dependency order" in docstrings by @Yoshanuikabundi in #244
• Add NPY dtype codec by @IAlibay in #228

Full Changelog: v0.9.4...0.9.5

v0.9.4 - Pydantic v2 support

What's Changed

• support pydantic v1 and v2 by @mikemhenry in #225
• Always raise, don't swallow exception, if exception is KeyboardInterrupt in ProtocolUnit.execute by @dotsdl in #215
• test pydantic v2 by @mikemhenry in #226
• Fixes ProtocolResult.from_dict by @richardjgowers in #230
• ci: update micromamba action by @richardjgowers in #231
• Fix conda-cron by @IAlibay in #232

Full Changelog: v0.9.3...v0.9.4

v0.9.3 - Docs galore

What's Changed

• Transformation docstrings fixes by @Yoshanuikabundi in #210
• Pin autodoc_pydantic by @IAlibay in #213
• FEAT: add LigandNetwork.is_connected() method by @richardjgowers in #214
• Prevent _GufeTozenizableMeta.__call__ from overwriting signature of __init__ by @Yoshanuikabundi in #216
• Issue 217 ligand network no edges by @richardjgowers in #218
• LigandNetwork.to_*_alchemical_network by @dwhswenson in #204
• Add checks for partial charges by @IAlibay in #219
• Improve docstrings as needed for OpenFE by @Yoshanuikabundi in #220
• docs: fixup docs on enlarge graph by @richardjgowers in #224

New Contributors

• @Yoshanuikabundi made their first contribution in #210

Full Changelog: v0.9.2...v0.9.3

Hotfix - Nonstandard protein fix

What's Changed

• proteincomponent: tweak conversions to/from openmm/rdkit by @richardjgowers in #209

Full Changelog: v0.9.1...v0.9.2

v0.9.1 - Hotfix

Allows backwards compatibility of ProtocolUnitResults created before v0.9.0

What's Changed

• Docs: Overview of gufe by @dwhswenson in #200
• Pin openff-units, pint to avoid typing issues by @dwhswenson in #206
• Makes start_time, end_time optional args for ProtocolUnitResult by @dotsdl in #208

Full Changelog: v0.9.0...v0.9.1

v0.9.0

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What's Changed

• Add LigandNetwork class by @richardjgowers in #195
• Fix packaging issues by @IAlibay in #198
• remove ProtocolResult.get_rate_of_convergence by @richardjgowers in #196
• joblib requirement fixed upstream by @IAlibay in #199
• Allow older rdkit versions, previously required 2022.9 by @richardjgowers in #202
• execute_DAG n_retries keyword by @richardjgowers in #203

Full Changelog: v0.8.0...v0.9.0

v0.8.0

Breaking change: use of pin for openff-model's FloatQuantity. This might affect Settings hashes

What's Changed

• updated off models pin to 0.0.5 by @richardjgowers in #191
• Issue 168 basic telemetry by @richardjgowers in #193
• fixup execute_DAG docs to not raise warnings by @richardjgowers in #194

Full Changelog: v0.7.3...v0.8.0