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The aim of this library is to help the developement of E3 equivariant neural networks. It contains fundamental mathematical operations such as tensor products and spherical harmonics.
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
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)
We are happy to help! The best way to get help on e3nn is to submit a Question or Bug Report.
If you want to get involved in and contribute to the development, improvement, and application of e3nn, introduce yourself in the discussions.
Our community abides by the Contributor Covenant Code of Conduct.
@software{mario_geiger_2021_5006322,
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
Jes Frellsen and
Nuri Jung and
Sophia Sanborn and
Josh Rackers and
Michael Bailey},
title = {e3nn/e3nn: 2021-06-21},
month = jun,
year = 2021,
publisher = {Zenodo},
version = {0.3.3},
doi = {10.5281/zenodo.5006322},
url = {https://doi.org/10.5281/zenodo.5006322}
}
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 [email protected].
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.