https://github.com/akohlmey/n2p2

n2p2 - A Neural Network Potential Package

https://github.com/akohlmey/n2p2

Science Score: 23.0%

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    Found 3 DOI reference(s) in README
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    Links to: zenodo.org
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    Low similarity (8.8%) to scientific vocabulary
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n2p2 - A Neural Network Potential Package

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Fork of CompPhysVienna/n2p2
Created about 5 years ago · Last pushed about 4 years ago

https://github.com/akohlmey/n2p2/blob/master/

n2p2 - A neural network potential package
=========================================

[![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.1344446.svg)](https://doi.org/10.5281/zenodo.1344446)
[![GitHub release](https://img.shields.io/github/release/CompPhysVienna/n2p2.svg)](https://GitHub.com/CompPhysVienna/n2p2/releases/)
[![Build Status](https://app.travis-ci.com/CompPhysVienna/n2p2.svg?branch=master)](https://app.travis-ci.com/CompPhysVienna/n2p2)
[![Coverage](https://codecov.io/gh/CompPhysVienna/n2p2/branch/master/graph/badge.svg)](https://codecov.io/gh/CompPhysVienna/n2p2)
[![License: GPL v3](https://img.shields.io/badge/License-GPLv3-blue.svg)](https://www.gnu.org/licenses/gpl-3.0)

This repository provides ready-to-use software for high-dimensional neural
network potentials in computational physics and chemistry.

# [Documentation](http://compphysvienna.github.io/n2p2)

This package uses automatic documentation generation via
[Sphinx](http://www.sphinx-doc.org),
[Breathe](https://breathe.readthedocs.io/en/latest/#) and
[doxygen](http://www.doxygen.nl/). An online version of the documentation which
is automatically updated with the master branch of the repository can be found
[__here__](http://compphysvienna.github.io/n2p2).

# Authors

See [AUTHORS.rst](https://github.com/CompPhysVienna/n2p2/blob/master/AUTHORS.rst) for a list of contributions.

# License

This software is licensed under the [GNU General Public License version 3 or any later version (GPL-3.0-or-later)](https://www.gnu.org/licenses/gpl.txt).

Owner

  • Name: Axel Kohlmeyer
  • Login: akohlmey
  • Kind: user
  • Location: Philadelphia PA
  • Company: Temple University

I work as Associate Dean for High-Performance Computing at Temple University in Philadelphia, PA and am head of a small team that manages HPC clusters.

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