Releases: WMD-group/ElementEmbeddings
Releases · WMD-group/ElementEmbeddings
v0.6.1
v0.6
v0.5
What's Changed
- XenonPy and CGNF embeddings are now available in ElementEmbeddings
- SpeciesEmbedddings are now supported with functions updated to support
🤷♂️ Other Changes
- Species by @AntObi in #100
- Xenonpy embeddings by @AntObi in #141
- Update ci.yml by @AntObi in #143
- Add cgnf embeddings by @aronwalsh in #145
- Add literature references to the README.md by @AntObi in #146
- Plotter updates by @AntObi in #153
- Update version number by @AntObi in #154
New Contributors
- @aronwalsh made their first contribution in #145
Full Changelog: v0.4.1...v0.5
Contributors
aronwalsh and AntObi
Assets 2
v0.4.1
v0.4
What's Changed
- Publication folder now updated with SMACT-crystal structure prediction scripts
- oliynyk.json has been replaced with oliynyk.csv which contains the feature labels
- oliynyk_preprocessed.csv has been added with the missing values imputed which is now the default oliynyk embedding
Automated release notes
Full Changelog: v0.3.1...v0.4
Contributors
AntObi
Assets 2
v0.3.1
What's Changed
-
Removed warning about standardisation when the Embedding class is instantiated
-
composition_featuriserallows custom columns to be used for featurising formulas
Full Changelog: v0.3.0...v0.3.1
Contributors
AntObi
Assets 2
v0.3.0
What's Changed
- Feature labels now preserved for representations where present
- Linear representations (atomic numbers, pettifor scale) are now usable as one-hot encoded vectors
- Fixed kwargs bug in
dimension_plotter
Automated Release notes
- Composition updates by @AntObi in #65
- Composition updates by @AntObi in #66
- Kwargs updates by @AntObi in #70
- Feature labels by @AntObi in #73
- Combined PR by @github-actions in #81
- Bump actions/setup-python from 3 to 4 by @dependabot in #75
- Bump mkdocstrings-python from 1.0.0 to 1.2.1 by @dependabot in #76
- Bump pre-commit from 2.20.0 to 3.3.3 by @dependabot in #77
- Bump seaborn from 0.12.1 to 0.12.2 by @dependabot in #78
- Bump autopep8 from 2.0.1 to 2.0.2 by @dependabot in #79
- Dependabot updates by @AntObi in #82
- Repo updates by @AntObi in #83
- Bump pypa/gh-action-pypi-publish from 1.4.2 to 1.8.8 by @dependabot in #74
- Doc updates by @AntObi in #84
Full Changelog: v0.2.0...v0.3.0
Contributors
dependabot and AntObi
Assets 2
v0.2.0
v0.1.1
What's Changed
- Pinned dependencies in setup.py
- Updated README.md
Automated release notes
- Combined PR by @github-actions in #55
- Bump scikit-learn from 1.2.1 to 1.3.0 by @dependabot in #51
- Bump pytest-cov from 4.0.0 to 4.1.0 by @dependabot in #50
- Bump isort from 5.11.2 to 5.12.0 by @dependabot in #52
- Bump mkdocs-material from 9.1.12 to 9.1.17 by @dependabot in #53
- Create python-publish.yml by @AntObi in #56
- Repo updates by @AntObi in #57
- Update README.md by @AntObi in #58
- Dependency updates by @AntObi in #60
- Setup.py update by @AntObi in #62
Full Changelog: v0.1...v0.1.1
Contributors
dependabot and AntObi
Assets 2
Initial Release
What's Changed
Version 0.1
This version of ElementEmbeddings includes:
- Core module: Contains the
Embeddingclass which performs the manipulation of distributed element representations - Composition module: Enables featurisation of chemical formula using the different element representations
- Plotter module: Currently contains functions to plot similarity measures and two-dimensional projections of the element embeddings
Automated release notes:
- Data by @AntObi in #10
- Documentation by @AntObi in #11
- Usage updates by @AntObi in #13
- added scaled versions of magpie and oliynyk by @AntObi in #14
- Update usage.ipynb by @AntObi in #15
- Update README.md by @AntObi in #16
- new distances and notebook for publication plots by @AntObi in #17
- updated metrics_plot.ipynb by @AntObi in #18
- Plotting utility updates by @AntObi in #19
- Added documentation using MKDocs for the package by @AntObi in #20
- Tests by @AntObi in #21
- Create LICENSE.md by @AntObi in #22
- updated mkdocs.yml and reference.md by @AntObi in #23
- 0.1 by @AntObi in #24
- Pre commit updates by @AntObi in #30
- Combined PR by @github-actions in #31
- Bump scikit-learn from 1.1.2 to 1.2.1 by @dependabot in #25
- Bump autopep8 from 2.0.0 to 2.0.1 by @dependabot in #27
- Bump pytest from 7.2.0 to 7.2.1 by @dependabot in #28
- Math plotting updates by @AntObi in #35
- Plotting by @AntObi in #38
- updated docs for the plotting module by @AntObi in #39
- Update README.md by @AntObi in #40
- Rename by @AntObi in #41
- Update ci.yml by @AntObi in #42
- Update ci.yml by @AntObi in #43
- Update pip branch with upstream changes on main by @AntObi in #44
- Make package pip installable from PyPI by @AntObi in #45
- Combined PR by @github-actions in #48
- Bump pytest-subtests from 0.9.0 to 0.10.0 by @dependabot in #34
- Bump matplotlib from 3.6.0 to 3.7.1 by @dependabot in #36
- Bump black from 22.12.0 to 23.3.0 by @dependabot in #37
- Bump scipy from 1.9.1 to 1.10.1 by @dependabot in #46
- Core fixes and notebook updates by @AntObi in #49
New Contributors
- @AntObi made their first contribution in #10
- @github-actions made their first contribution in #31
- @dependabot made their first contribution in #25
Full Changelog: https://github.com/WMD-group/ElementEmbeddings/commits/v0.1
Contributors
dependabot and AntObi