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Since the release of `v0.4.0` we fixed major issues with two of the
single-step model wrappers (GLN used to not run at all, while RetroKNN
would run with degraded performance due to erroneous weights). This PR
marks the release of `v0.4.1` to make sure these fixes are pushed to
PyPI.
@@ -16,7 +18,7 @@ and the project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.
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### Changed
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- Merge reaction and reaction model base classes in `search` and `reaction_predction` ([#63](https://github.com/microsoft/syntheseus/pull/63), [#67](https://github.com/microsoft/syntheseus/pull/67), [#73](https://github.com/microsoft/syntheseus/pull/73), [#74](https://github.com/microsoft/syntheseus/pull/74), [#76](https://github.com/microsoft/syntheseus/pull/76), [#84](https://github.com/microsoft/syntheseus/pull/84)) ([@austint], [@kmaziarz])
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- Merge reaction and reaction model base classes in `search` and `reaction_prediction` ([#63](https://github.com/microsoft/syntheseus/pull/63), [#67](https://github.com/microsoft/syntheseus/pull/67), [#73](https://github.com/microsoft/syntheseus/pull/73), [#74](https://github.com/microsoft/syntheseus/pull/74), [#76](https://github.com/microsoft/syntheseus/pull/76), [#84](https://github.com/microsoft/syntheseus/pull/84)) ([@austint], [@kmaziarz])
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- Make reaction models return `Sequence[Reaction]` instead of `PredictionList` objects ([#61](https://github.com/microsoft/syntheseus/pull/61)) ([@austint])
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- Suppress the remaining noisy logs and warnings coming from single-step models ([#53](https://github.com/microsoft/syntheseus/pull/53)) ([@kmaziarz])
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- Improve efficiency and logging of retro* algorithm ([#62](https://github.com/microsoft/syntheseus/pull/62)) ([@austint])
@@ -85,11 +87,12 @@ and the project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.
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:seedling: Initial public release, containing several multi-step search algorithms and a minimal interface for single-step models.
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