Overview
========

Introduction
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Allegro is a strictly local E(3)-equivariant machine-learning interatomic potential, implemented as a `NequIP <https://github.com/mir-group/nequip>`_ extension package.

Citing Allegro
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If you use Allegro in your research, please cite our `article <https://www.nature.com/articles/s41467-023-36329-y>`_:

.. code-block:: bibtex

    @article{musaelian2023learning,
        title={Learning local equivariant representations for large-scale atomistic dynamics},
        author={Musaelian, Albert and Batzner, Simon and Johansson, Anders and Sun, Lixin and Owen, Cameron J and Kornbluth, Mordechai and Kozinsky, Boris},
        journal={Nature Communications},
        volume={14},
        number={1},
        pages={579},
        year={2023},
        publisher={Nature Publishing Group UK London}
    }