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Recent Releases of elementembeddings

elementembeddings - v0.6.1

What's Changed

🤷‍♂️ Other Changes

  • Overhaul pre-commit by @AntObi in https://github.com/WMD-group/ElementEmbeddings/pull/166
  • Fix parse_species to handle non-integer oxidation states by @AntObi in https://github.com/WMD-group/ElementEmbeddings/pull/170

Full Changelog: https://github.com/WMD-group/ElementEmbeddings/compare/v0.6...v0.6.1

- Python
Published by AntObi over 1 year ago

elementembeddings - v0.6

What's Changed

🛠 Enhancements

  • Documentation updates and Species updates by @AntObi in https://github.com/WMD-group/ElementEmbeddings/pull/161 ### 🤷‍♂️ Other Changes
  • Preparing a new release by @AntObi in https://github.com/WMD-group/ElementEmbeddings/pull/163
  • Update latest_docs.yml by @AntObi in https://github.com/WMD-group/ElementEmbeddings/pull/164

Full Changelog: https://github.com/WMD-group/ElementEmbeddings/compare/v0.5...v0.6

- Python
Published by AntObi over 1 year ago

elementembeddings - 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 https://github.com/WMD-group/ElementEmbeddings/pull/100
  • Xenonpy embeddings by @AntObi in https://github.com/WMD-group/ElementEmbeddings/pull/141
  • Update ci.yml by @AntObi in https://github.com/WMD-group/ElementEmbeddings/pull/143
  • Add cgnf embeddings by @aronwalsh in https://github.com/WMD-group/ElementEmbeddings/pull/145
  • Add literature references to the README.md by @AntObi in https://github.com/WMD-group/ElementEmbeddings/pull/146
  • Plotter updates by @AntObi in https://github.com/WMD-group/ElementEmbeddings/pull/153
  • Update version number by @AntObi in https://github.com/WMD-group/ElementEmbeddings/pull/154

New Contributors

  • @aronwalsh made their first contribution in https://github.com/WMD-group/ElementEmbeddings/pull/145

Full Changelog: https://github.com/WMD-group/ElementEmbeddings/compare/v0.4.1...v0.5

- Python
Published by AntObi over 1 year ago

elementembeddings - v0.4.1

Package requirements have been loosened for better compatibility in python environments.

What's Changed

🤷‍♂️ Other Changes

  • Loosen requirements by @AntObi in https://github.com/WMD-group/ElementEmbeddings/pull/120

Full Changelog: https://github.com/WMD-group/ElementEmbeddings/compare/v0.4...v0.4.1

- Python
Published by AntObi about 2 years ago

elementembeddings - 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

  • Publication updates by @AntObi in https://github.com/WMD-group/ElementEmbeddings/pull/87

Full Changelog: https://github.com/WMD-group/ElementEmbeddings/compare/v0.3.1...v0.4

- Python
Published by AntObi over 2 years ago

elementembeddings - v0.3.1

What's Changed

  • Removed warning about standardisation when the Embedding class is instantiated

  • composition_featuriser allows custom columns to be used for featurising formulas

  • Remove warning by @AntObi in https://github.com/WMD-group/ElementEmbeddings/pull/85

  • Comp updates by @AntObi in https://github.com/WMD-group/ElementEmbeddings/pull/86

Full Changelog: https://github.com/WMD-group/ElementEmbeddings/compare/v0.3.0...v0.3.1

- Python
Published by AntObi over 2 years ago

elementembeddings - 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 https://github.com/WMD-group/ElementEmbeddings/pull/65
  • Composition updates by @AntObi in https://github.com/WMD-group/ElementEmbeddings/pull/66
  • Kwargs updates by @AntObi in https://github.com/WMD-group/ElementEmbeddings/pull/70
  • Feature labels by @AntObi in https://github.com/WMD-group/ElementEmbeddings/pull/73
  • Combined PR by @github-actions in https://github.com/WMD-group/ElementEmbeddings/pull/81
  • Bump actions/setup-python from 3 to 4 by @dependabot in https://github.com/WMD-group/ElementEmbeddings/pull/75
  • Bump mkdocstrings-python from 1.0.0 to 1.2.1 by @dependabot in https://github.com/WMD-group/ElementEmbeddings/pull/76
  • Bump pre-commit from 2.20.0 to 3.3.3 by @dependabot in https://github.com/WMD-group/ElementEmbeddings/pull/77
  • Bump seaborn from 0.12.1 to 0.12.2 by @dependabot in https://github.com/WMD-group/ElementEmbeddings/pull/78
  • Bump autopep8 from 2.0.1 to 2.0.2 by @dependabot in https://github.com/WMD-group/ElementEmbeddings/pull/79
  • Dependabot updates by @AntObi in https://github.com/WMD-group/ElementEmbeddings/pull/82
  • Repo updates by @AntObi in https://github.com/WMD-group/ElementEmbeddings/pull/83
  • Bump pypa/gh-action-pypi-publish from 1.4.2 to 1.8.8 by @dependabot in https://github.com/WMD-group/ElementEmbeddings/pull/74
  • Doc updates by @AntObi in https://github.com/WMD-group/ElementEmbeddings/pull/84

Full Changelog: https://github.com/WMD-group/ElementEmbeddings/compare/v0.2.0...v0.3.0

- Python
Published by AntObi over 2 years ago

elementembeddings - v0.2.0

What's Changed

  • Test updates by @AntObi in https://github.com/WMD-group/ElementEmbeddings/pull/64

Full Changelog: https://github.com/WMD-group/ElementEmbeddings/compare/v0.1.1...v0.2.0

- Python
Published by AntObi over 2 years ago

elementembeddings - v0.1.1

What's Changed

  • Pinned dependencies in setup.py
  • Updated README.md

Automated release notes

  • Combined PR by @github-actions in https://github.com/WMD-group/ElementEmbeddings/pull/55
  • Bump scikit-learn from 1.2.1 to 1.3.0 by @dependabot in https://github.com/WMD-group/ElementEmbeddings/pull/51
  • Bump pytest-cov from 4.0.0 to 4.1.0 by @dependabot in https://github.com/WMD-group/ElementEmbeddings/pull/50
  • Bump isort from 5.11.2 to 5.12.0 by @dependabot in https://github.com/WMD-group/ElementEmbeddings/pull/52
  • Bump mkdocs-material from 9.1.12 to 9.1.17 by @dependabot in https://github.com/WMD-group/ElementEmbeddings/pull/53
  • Create python-publish.yml by @AntObi in https://github.com/WMD-group/ElementEmbeddings/pull/56
  • Repo updates by @AntObi in https://github.com/WMD-group/ElementEmbeddings/pull/57
  • Update README.md by @AntObi in https://github.com/WMD-group/ElementEmbeddings/pull/58
  • Dependency updates by @AntObi in https://github.com/WMD-group/ElementEmbeddings/pull/60
  • Setup.py update by @AntObi in https://github.com/WMD-group/ElementEmbeddings/pull/62

Full Changelog: https://github.com/WMD-group/ElementEmbeddings/compare/v0.1...v0.1.1

- Python
Published by AntObi over 2 years ago

elementembeddings - Initial Release

What's Changed

Version 0.1 This version of ElementEmbeddings includes: * Core module: Contains the Embedding class 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 https://github.com/WMD-group/ElementEmbeddings/pull/10 * Documentation by @AntObi in https://github.com/WMD-group/ElementEmbeddings/pull/11 * Usage updates by @AntObi in https://github.com/WMD-group/ElementEmbeddings/pull/13 * added scaled versions of magpie and oliynyk by @AntObi in https://github.com/WMD-group/ElementEmbeddings/pull/14 * Update usage.ipynb by @AntObi in https://github.com/WMD-group/ElementEmbeddings/pull/15 * Update README.md by @AntObi in https://github.com/WMD-group/ElementEmbeddings/pull/16 * new distances and notebook for publication plots by @AntObi in https://github.com/WMD-group/ElementEmbeddings/pull/17 * updated metrics_plot.ipynb by @AntObi in https://github.com/WMD-group/ElementEmbeddings/pull/18 * Plotting utility updates by @AntObi in https://github.com/WMD-group/ElementEmbeddings/pull/19 * Added documentation using MKDocs for the package by @AntObi in https://github.com/WMD-group/ElementEmbeddings/pull/20 * Tests by @AntObi in https://github.com/WMD-group/ElementEmbeddings/pull/21 * Create LICENSE.md by @AntObi in https://github.com/WMD-group/ElementEmbeddings/pull/22 * updated mkdocs.yml and reference.md by @AntObi in https://github.com/WMD-group/ElementEmbeddings/pull/23 * 0.1 by @AntObi in https://github.com/WMD-group/ElementEmbeddings/pull/24 * Pre commit updates by @AntObi in https://github.com/WMD-group/ElementEmbeddings/pull/30 * Combined PR by @github-actions in https://github.com/WMD-group/ElementEmbeddings/pull/31 * Bump scikit-learn from 1.1.2 to 1.2.1 by @dependabot in https://github.com/WMD-group/ElementEmbeddings/pull/25 * Bump autopep8 from 2.0.0 to 2.0.1 by @dependabot in https://github.com/WMD-group/ElementEmbeddings/pull/27 * Bump pytest from 7.2.0 to 7.2.1 by @dependabot in https://github.com/WMD-group/ElementEmbeddings/pull/28 * Math plotting updates by @AntObi in https://github.com/WMD-group/ElementEmbeddings/pull/35 * Plotting by @AntObi in https://github.com/WMD-group/ElementEmbeddings/pull/38 * updated docs for the plotting module by @AntObi in https://github.com/WMD-group/ElementEmbeddings/pull/39 * Update README.md by @AntObi in https://github.com/WMD-group/ElementEmbeddings/pull/40 * Rename by @AntObi in https://github.com/WMD-group/ElementEmbeddings/pull/41 * Update ci.yml by @AntObi in https://github.com/WMD-group/ElementEmbeddings/pull/42 * Update ci.yml by @AntObi in https://github.com/WMD-group/ElementEmbeddings/pull/43 * Update pip branch with upstream changes on main by @AntObi in https://github.com/WMD-group/ElementEmbeddings/pull/44 * Make package pip installable from PyPI by @AntObi in https://github.com/WMD-group/ElementEmbeddings/pull/45 * Combined PR by @github-actions in https://github.com/WMD-group/ElementEmbeddings/pull/48 * Bump pytest-subtests from 0.9.0 to 0.10.0 by @dependabot in https://github.com/WMD-group/ElementEmbeddings/pull/34 * Bump matplotlib from 3.6.0 to 3.7.1 by @dependabot in https://github.com/WMD-group/ElementEmbeddings/pull/36 * Bump black from 22.12.0 to 23.3.0 by @dependabot in https://github.com/WMD-group/ElementEmbeddings/pull/37 * Bump scipy from 1.9.1 to 1.10.1 by @dependabot in https://github.com/WMD-group/ElementEmbeddings/pull/46 * Core fixes and notebook updates by @AntObi in https://github.com/WMD-group/ElementEmbeddings/pull/49

New Contributors

  • @AntObi made their first contribution in https://github.com/WMD-group/ElementEmbeddings/pull/10
  • @github-actions made their first contribution in https://github.com/WMD-group/ElementEmbeddings/pull/31
  • @dependabot made their first contribution in https://github.com/WMD-group/ElementEmbeddings/pull/25

Full Changelog: https://github.com/WMD-group/ElementEmbeddings/commits/v0.1

- Python
Published by AntObi over 2 years ago