openmmtools
A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.
Installation
To install this package, run one of the following:
Usage Tracking
0.25.3
0.25.2
0.25.1
0.25.0
0.24.2
5 / 8 versions selected
Downloads (Last 6 months): 0
Description
openmmtools is a Python library layer that sits on top of OpenMM to provide access to a variety of useful tools for building full-featured molecular simulation packages.
About
Summary
A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.
Last Updated
Oct 1, 2025 at 22:42
License
MIT
Total Downloads
495.3K
Supported Platforms
noarch
Unsupported Platforms
linux-64 Last supported version: 0.20.0
macOS-64 Last supported version: 0.20.0
GitHub Repository
https://github.com/choderalab/openmmtoolsDocumentation
https://openmmtools.readthedocs.io