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Adapt the CHANGELOG to the Common Changelog format (#59)
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So far the `CHANGELOG.md` file followed "Keep a Changelog", which is
somewhat underspecified; this led to inconsistent-looking changelog
entries. "Common Changelog" is a stricter variant which makes it
explicit how the entries should be written. In this PR, I'm switching to
the latter, and adjusting existing changelog entries to match that.
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kmaziarz authored Jun 16, 2023
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Showing 1 changed file with 23 additions and 22 deletions.
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# Changelog
All notable changes to the project will be documented in this file.

The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/),
and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.html).
All notable changes to the project are documented in this file.

The format follows [Common Changelog](https://common-changelog.org/),
and the project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.html).

## [Unreleased]

### Added
- Option for `decode` to return the entire generation trace ([#51](https://github.com/microsoft/molecule-generation/pull/51))
- Add an option for `decode` to return the entire generation trace ([#51](https://github.com/microsoft/molecule-generation/pull/51))

### Changed
- Reformatted the code with the newest `black` (version `23.1.0`) and pinned it in CI to avoid further unexpected updates ([#50](https://github.com/microsoft/molecule-generation/pull/50))
- Reformat with `black==23.1.0` and pin it in CI to avoid further unexpected updates ([#50](https://github.com/microsoft/molecule-generation/pull/50))

### Fixed
- Removed deprecated `numpy` types to make `molecule_generation` work with `numpy>=1.24.0` ([#49](https://github.com/microsoft/molecule-generation/pull/49))
- Patched `GetSSSR` for compatibility with `rdkit>=2022.09.1` ([#58](https://github.com/microsoft/molecule-generation/pull/58))
- Remove deprecated `numpy` types to make `molecule_generation` work with `numpy>=1.24.0` ([#49](https://github.com/microsoft/molecule-generation/pull/49))
- Patch `GetSSSR` for compatibility with `rdkit>=2022.09.1` ([#58](https://github.com/microsoft/molecule-generation/pull/58))

## [0.3.0] - 2022-10-18

### Added
- Support for fine-tuning a pretrained model on new data ([#30](https://github.com/microsoft/molecule-generation/pull/30))
- `__version__` attribute to make the package version easily accessible at runtime ([#35](https://github.com/microsoft/molecule-generation/pull/35))
- Add support for fine-tuning a pretrained model on new data ([#30](https://github.com/microsoft/molecule-generation/pull/30))
- Add a `__version__` attribute to make the package version easily accessible at runtime ([#35](https://github.com/microsoft/molecule-generation/pull/35))

### Changed
- Dropped the exact version requirements for `python` and `tensorflow` in order to support entire ranges of versions, including modern ones ([#35](https://github.com/microsoft/molecule-generation/pull/35))
- Drop the exact version requirements for `python` and `tensorflow` to support entire ranges of versions ([#35](https://github.com/microsoft/molecule-generation/pull/35))

### Removed
- Unused `GraphMultitaskModel` which ended up in the open-source release by accident ([#34](https://github.com/microsoft/molecule-generation/pull/34))
- Drop unused `GraphMultitaskModel` which ended up in the open-source release by accident ([#34](https://github.com/microsoft/molecule-generation/pull/34))

### Fixed
- Made the inference server check the status of child processes every 10 seconds, so that it can exit gracefully in case of errors instead of hanging ([#33](https://github.com/microsoft/molecule-generation/pull/33))
- Make the inference server check the status of child processes every 10 seconds, so that it can exit gracefully in case of errors instead of hanging ([#33](https://github.com/microsoft/molecule-generation/pull/33))

## [0.2.0] - 2022-07-01

### Added
- `MoLeRGenerator`, which uses the MoLeR decoder (without the encoder) as an autoregressive policy ([#6](https://github.com/microsoft/molecule-generation/pull/6))
- `load_model_from_directory`, which can load any model by automatically picking the right wrapper class (either `VaeWrapper` or `GeneratorWrapper`) ([#24](https://github.com/microsoft/molecule-generation/pull/24))
- An option for `encode` to return not only the mean latent code but also the variance ([#26](https://github.com/microsoft/molecule-generation/pull/26))
- Add `MoLeRGenerator`, which uses the MoLeR decoder (without the encoder) as an autoregressive policy ([#6](https://github.com/microsoft/molecule-generation/pull/6))
- Add `load_model_from_directory`, which can load any model by automatically picking the right wrapper class ([#24](https://github.com/microsoft/molecule-generation/pull/24))
- Implement an option for `encode` to return not only the mean latent code but also the variance ([#26](https://github.com/microsoft/molecule-generation/pull/26))

### Changed
- Improved how the MoLeR visualisers handle node selection steps ([#10](https://github.com/microsoft/molecule-generation/pull/10))
- Refactored how MoLeR keeps track of generation steps during decoding and included partial molecules in the step info classes ([#27](https://github.com/microsoft/molecule-generation/pull/27))
- Improve how the MoLeR visualisers handle node selection steps ([#10](https://github.com/microsoft/molecule-generation/pull/10))
- Refactor how MoLeR keeps track of generation steps during decoding and include partial molecules in the step info classes ([#27](https://github.com/microsoft/molecule-generation/pull/27))

### Fixed
- One-off errors in the latent-based visualisation mode ([#10](https://github.com/microsoft/molecule-generation/pull/10))
- Constrained the version of `protobuf` to avoid pulling in a breaking release ([#25](https://github.com/microsoft/molecule-generation/pull/25))
- Fix one-off errors in the latent-based visualisation mode ([#10](https://github.com/microsoft/molecule-generation/pull/10))
- Constrain `protobuf` version to avoid pulling in a breaking release ([#25](https://github.com/microsoft/molecule-generation/pull/25))

## [0.1.0] - 2022-04-11

This is the first public release, matching what was used for [the original paper](https://arxiv.org/abs/2103.03864).
:seedling: First public release, matching what was used for [the original paper](https://arxiv.org/abs/2103.03864).

### Added
- Full implementation of MoLeR as introduced in the paper
- Reference implementation of CGVAE, not yet supported by the high-level model API
- Add full implementation of MoLeR as introduced in the paper
- Add reference implementation of CGVAE, not yet supported by the high-level model API

[Unreleased]: https://github.com/microsoft/molecule-generation/compare/v0.3.0...HEAD
[0.1.0]: https://github.com/microsoft/molecule-generation/releases/tag/v0.1.0
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