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Euclidean neural networks

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Documentation | Code | CHANGELOG | Colab

The aim of this library is to help the development of E(3) equivariant neural networks. It contains fundamental mathematical operations such as tensor products and spherical harmonics.

Installation

Important: install pytorch and only then run the command

pip install --upgrade pip
pip install --upgrade e3nn

For details and optional dependencies, see INSTALL.md

Breaking changes

e3nn is under development. It is recommanded to install using pip. The main branch is considered as unstable. The second version number is incremented every time a breaking change is made to the code.

0.(increment when backwards incompatible release).(increment for backwards compatible release)

Help

We are happy to help! The best way to get help on e3nn is to submit a Question or Bug Report.

Want to get involved? Great!

If you want to get involved in and contribute to the development, improvement, and application of e3nn, introduce yourself in the discussions.

Code of conduct

Our community abides by the Contributor Covenant Code of Conduct.

Citing

@misc{e3nn_paper,
doi = {10.48550/ARXIV.2207.09453},
url = {https://arxiv.org/abs/2207.09453},
author = {Geiger, Mario and Smidt, Tess},
keywords = {Machine Learning (cs.LG), Artificial Intelligence (cs.AI), Neural and Evolutionary Computing (cs.NE), FOS: Computer and information sciences, FOS: Computer and information sciences},
title = {e3nn: Euclidean Neural Networks},
publisher = {arXiv},
year = {2022},
copyright = {Creative Commons Attribution 4.0 International}
}
@software{e3nn,
author = {Mario Geiger and
Tess Smidt and
Alby M. and
Benjamin Kurt Miller and
Wouter Boomsma and
Bradley Dice and
Kostiantyn Lapchevskyi and
Maurice Weiler and
Michał Tyszkiewicz and
Simon Batzner and
Dylan Madisetti and
Martin Uhrin and
Jes Frellsen and
Nuri Jung and
Sophia Sanborn and
Mingjian Wen and
Josh Rackers and
Marcel Rød and
Michael Bailey},
title = {Euclidean neural networks: e3nn},
month = apr,
year = 2022,
publisher = {Zenodo},
version = {0.5.0},
doi = {10.5281/zenodo.6459381},
url = {https://doi.org/10.5281/zenodo.6459381}
}

Copyright

Euclidean neural networks (e3nn) Copyright (c) 2020, The Regents of the University of California, through Lawrence Berkeley National Laboratory (subject to receipt of any required approvals from the U.S. Dept. of Energy), Ecole Polytechnique Federale de Lausanne (EPFL), Free University of Berlin and Kostiantyn Lapchevskyi. All rights reserved.

If you have questions about your rights to use or distribute this software, please contact Berkeley Lab's Intellectual Property Office at IPO@lbl.gov.

NOTICE. This Software was developed under funding from the U.S. Department of Energy and the U.S. Government consequently retains certain rights. As such, the U.S. Government has been granted for itself and others acting on its behalf a paid-up, nonexclusive, irrevocable, worldwide license in the Software to reproduce, distribute copies to the public, prepare derivative works, and perform publicly and display publicly, and to permit others to do so.

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A modular framework for neural networks with Euclidean symmetry

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