Metadata-Version: 2.1
Name: e3md
Version: 0.2.0
Summary: Library for machine learning on physical tensors
Keywords: machine learning,e3nn-jax,physics
Author-email: Martin Uhrin <martin.uhrin.10@ucl.ac.uk>
Requires-Python: >=3.9
Description-Content-Type: text/x-rst
Classifier: Development Status :: 4 - Beta
Classifier: License :: OSI Approved :: GNU General Public License v3 or later (GPLv3+)
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Classifier: Programming Language :: Python :: 3.13
Classifier: Programming Language :: Python :: 3.14
Requires-Dist: ase
Requires-Dist: hydra-core
Requires-Dist: jax
Requires-Dist: jaxlib
Requires-Dist: jraph
Requires-Dist: orbax-checkpoint
Requires-Dist: e3nn-jax
Requires-Dist: equinox
Requires-Dist: reax>=0.5.5
Requires-Dist: tensorial>=0.4.4
Requires-Dist: flit ; extra == "dev"
Requires-Dist: ipython ; extra == "dev"
Requires-Dist: pytest ; extra == "dev"
Requires-Dist: pytest-cov ; extra == "dev"
Requires-Dist: pre-commit ; extra == "dev"
Requires-Dist: pylint ; extra == "dev"
Requires-Dist: black ; extra == "dev"
Requires-Dist: docutils ; extra == "docs"
Requires-Dist: jupyter ; extra == "docs"
Requires-Dist: nbsphinx ; extra == "docs"
Requires-Dist: pandoc ; extra == "docs"
Requires-Dist: sphinx ; extra == "docs"
Requires-Dist: sphinx-autobuild ; extra == "docs"
Project-URL: Home, https://github.com/muhrin/e3md
Project-URL: Source, https://github.com/muhrin/e3md
Provides-Extra: dev
Provides-Extra: docs

E3MD
====

.. image:: https://codecov.io/gh/muhrin/e3md/branch/develop/graph/badge.svg
    :target: https://codecov.io/gh/muhrin/e3md
    :alt: Coverage

.. image:: https://github.com/muhrin/e3md/actions/workflows/ci.yml/badge.svg
    :target: https://github.com/muhrin/e3md/actions/workflows/ci.yml
    :alt: Tests

.. image:: https://img.shields.io/pypi/v/e3md.svg
    :target: https://pypi.python.org/pypi/e3md/
    :alt: Latest Version

.. image:: https://img.shields.io/pypi/wheel/e3md.svg
    :target: https://pypi.python.org/pypi/e3md/

.. image:: https://img.shields.io/pypi/pyversions/e3md.svg
    :target: https://pypi.python.org/pypi/e3md/

.. image:: https://img.shields.io/pypi/l/e3md.svg
    :target: https://pypi.python.org/pypi/e3md/

E3MD is an open-source code for building E(3)-equivariant interatomic potentials written in JAX,
based on the ``tensorial`` and ``reax`` libraries.


Quick start
-----------

.. code-block:: shell

    pip install e3md

