openmmtools
A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.
Installation
To install this package, run one of the following:
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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
Jan 8, 2026 at 20:28
License
MIT
Total Downloads
497.8K
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/