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kavanase committed Jul 12, 2024
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Citing Nequip
Citing NequIP
=============
If you use ``NequIP`` in your research, please cite our `article <https://doi.org/10.1038/s41467-022-29939-5>`_:

.. code-block::
@article{batzner_e3-equivariant_2022,
title = {E(3)-Equivariant Graph Neural Networks for Data-Efficient and Accurate Interatomic Potentials},
author = {Batzner, Simon and Musaelian, Albert and Sun, Lixin and Geiger, Mario and Mailoa, Jonathan P. and Kornbluth, Mordechai and Molinari, Nicola and Smidt, Tess E. and Kozinsky, Boris},
year = {2022},
month = may,
journal = {Nature Communications},
volume = {13},
number = {1},
pages = {2453},
issn = {2041-1723},
doi = {10.1038/s41467-022-29939-5},
}
The theory behind NequIP is described in our `article <https://doi.org/10.1038/s41467-022-29939-5>`_ above.
NequIP's backend builds on `e3nn <https://e3nn.org>`_, a general framework for building E(3)-equivariant
neural networks (1). If you use this repository in your work, please consider citing ``NequIP`` and ``e3nn`` (2):

1. https://e3nn.org
2. https://doi.org/10.5281/zenodo.3724963

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