From 8a34a374f3d31992c69d9d1f4ed127484f0529fa Mon Sep 17 00:00:00 2001 From: Krzysztof Maziarz Date: Fri, 16 Jun 2023 11:46:24 +0100 Subject: [PATCH] Adapt the CHANGELOG to the Common Changelog format (#59) 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. --- CHANGELOG.md | 45 +++++++++++++++++++++++---------------------- 1 file changed, 23 insertions(+), 22 deletions(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index 91bbdad..0da6b10 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -1,58 +1,59 @@ # 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