openpathsampling
A Python package for path sampling simulations
A Python package for path sampling simulations
To install this package, run one of the following:
OpenPathSampling is a library for trajectory-based rare events simulations, including transition path sampling, transition interface sampling, and committor simulations. Note that for real-world usage, you must also install one of the powerful molecular dynamics engines that OPS interfaces with, such as OpenMM or Gromacs. If you install those seprately, OPS will automatically support your installation of them.
Summary
A Python package for path sampling simulations
Information Last Updated
Apr 22, 2025 at 14:57
License
MIT
Total Downloads
129.3K
Platforms
GitHub Repository
https://github.com/openpathsampling/openpathsamplingDocumentation
https://openpathsampling.org