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 #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