n2p2
Neural network potentials for chemistry and physics
This package contains software that will allow you to use existing neural network potential parameterizations to predict energies and forces (with standalone tools but also in conjunction with the MD software LAMMPS). In addition it is possible to train new neural network potentials with the provided training tools.
- Versions: 2.1.4
- Website: https://compphysvienna.github.io/n2p2/
- Licenses: GPL 3+
- Package source: gnu/packages/maths.scm
- Builds: See build status
- Issues: See known issues
Installation
Install the latest version of n2p2 as follows:
guix install n2p2
Or install a particular version:
guix install n2p2@2.1.4
You can also install packages in augmented, pure or containerized environments for development or simply to try them out without polluting your user profile. See the guix shell documentation for more information.
Badge code
You can use the following badge to inform users of n2p2 about the latest version available in Guix.
Example HTML:
<a href='https://packages.guix.gnu.org/packages/n2p2'><img src='https://packages.guix.gnu.org/packages/n2p2/badges/latest-version.svg' alt='Version in GNU Guix'></a>
Example Markdown:
[](https://packages.guix.gnu.org/packages/n2p2)
Example Org:
[[https://packages.guix.gnu.org/packages/n2p2][https://packages.guix.gnu.org/packages/n2p2/badges/latest-version.svg]]