openmm 8.1.1

Toolkit for molecular simulation

OpenMM is a toolkit for molecular simulation. It can be used either as a stand-alone application for running simulations, or as a library you call from your own code.

Outputs: out
Website: https://github.com/openmm/openmm/
Licenses: Expat
Package source: gnu/packages/machine-learning.scm
Builds: See build status
Issues: See known issues

Installation

Install openmm 8.1.1 as follows:

guix install openmm@8.1.1

Or install the latest version:

guix install openmm

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.