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Welcome to ElementEmbeddings

This site contains the project documentation for the ElementEmbeddings package which provides tools and examples of analysing and visualising elemental representation data.

Table of Contents

The documentation consists of the following six parts:

  1. About
  2. Getting Started
  3. Python API
  4. Tutorials
  5. Embedding Schemes
  6. Contributing

Project Overview

Analyse elemental representation data.

Modules exported by this package:

  • elementembeddings.core: Provides the Embedding class.
  • elementembeddings.composition: Tools to featurise compositions.
  • elementembeddings.plotter: Tools to plot embeddings.

Utility functions for elementembeddings.

Modules exported in elementembeddings.utils:

  • elementembeddings.utils.config: Provides configuration settings and constants.
  • elementembeddings.utils.io: Tools to read and write data.
  • elementembeddings.utils.math: Tools for mathematical operations.
  • elementembeddings.utils.species: Tools to handle ionic species.