|tests| |codecov| |pypi| |conda| |docs| |doi|
A collection of scikit-learn compatible utilities that implement methods born out of
the materials science and chemistry communities.
For details, tutorials, and examples, please have a look at our documentation_.
.. _documentation: https://scikit-matter.readthedocs.io
.. marker-installation
You can install scikit-matter either via pip using
.. code-block:: bash
pip install skmatteror conda
.. code-block:: bash
conda install -c conda-forge skmatterYou can then import skmatter and use scikit-matter in your projects!
.. marker-ci-tests
We are testing our code for Python 3.8 and 3.12 on Windows Server 2019, macOS 11
and Ubuntu LTS 22.04_.
.. Windows Server 2019: https://github.com/actions/runner-images/blob/main/images/win/Windows2019-Readme.md
.. macOS 11: https://github.com/actions/runner-images/blob/main/images/macos/macos-11-Readme.md
.. _Ubuntu LTS 22.04: https://github.com/actions/runner-images/blob/main/images/linux/Ubuntu2204-Readme.md
.. marker-issues
Having a problem with scikit-matter? Please let us know by submitting an issue <https://github.com/scikit-learn-contrib/scikit-matter/issues>_.
Submit new features or bug fixes through a pull request <https://github.com/scikit-learn-contrib/scikit-matter/pulls>_.
.. marker-contributing
We always welcome new contributors. If you want to help us take a look at our
contribution guidelines and afterwards you may start with an open issue marked as
good first issue.
Writing code is not the only way to contribute to the project. You can also:
pull requests_issues_examples and tutorials_improve our documentation_new datasets_.. contribution guidelines: https://scikit-matter.readthedocs.io/en/latest/contributing.html
.. good first issue: https://github.com/scikit-learn-contrib/scikit-matter/issues?q=is%3Aissue+is%3Aopen+label%3A%22good+first+issue%22
.. pull requests: https://github.com/scikit-learn-contrib/scikit-matter/pulls
.. issues: https://github.com/scikit-learn-contrib/scikit-matter/issues
.. improve our documentation: https://scikit-matter.readthedocs.io/en/latest/contributing.html#contributing-to-the-documentation
.. examples and tutorials: https://scikit-matter.readthedocs.io/en/latest/contributing.html#contributing-new-examples
.. _new datasets: https://scikit-matter.readthedocs.io/en/latest/contributing.html#contributing-datasets
.. marker-citing
If you use scikit-matter for your work, please cite:
Goscinski A, Principe VP, Fraux G et al. scikit-matter :
A Suite of Generalisable Machine Learning Methods Born out of Chemistry
and Materials Science. Open Res Europe 2023, 3:81.
10.12688/openreseurope.15789.2_
.. _10.12688/openreseurope.15789.2: https://doi.org/10.12688/openreseurope.15789.2
.. marker-contributors
Thanks goes to all people that make scikit-matter possible:
.. image:: https://contrib.rocks/image?repo=scikit-learn-contrib/scikit-matter :target: https://github.com/scikit-learn-contrib/scikit-matter/graphs/contributors
.. |tests| image:: https://github.com/scikit-learn-contrib/scikit-matter/workflows/Tests/badge.svg :alt: Github Actions Tests Job Status :target: action_
.. |codecov| image:: https://codecov.io/gh/scikit-learn-contrib/scikit-matter/branch/main/graph/badge.svg?token=UZJPJG34SM :alt: Code coverage :target: https://codecov.io/gh/scikit-learn-contrib/scikit-matter/
.. |docs| image:: https://img.shields.io/badge/documentation-latest-sucess :alt: Python :target: documentation_
.. |pypi| image:: https://img.shields.io/pypi/v/skmatter.svg :alt: Latest PYPI version :target: https://pypi.org/project/skmatter
.. |conda| image:: https://anaconda.org/conda-forge/skmatter/badges/version.svg :alt: Latest conda version :target: https://anaconda.org/conda-forge/skmatter
.. |doi| image:: https://img.shields.io/badge/DOI-10.12688-blue
:alt: ORE Paper
:target: 10.12688/openreseurope.15789.2_
.. _action: https://github.com/scikit-learn-contrib/scikit-matter/actions?query=branch%3Amain