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openpathsampling

Community

A Python package for path sampling simulations

Installation

To install this package, run one of the following:

Conda
$conda install conda-forge::openpathsampling

Usage Tracking

1.7.0
1.6.1
1.6.0
1.5.2
1.5.1
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Downloads (Last 6 months): 0

Description

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.

About

Summary

A Python package for path sampling simulations

Last Updated

Oct 4, 2024 at 20:19

License

MIT

Total Downloads

132.2K

Supported Platforms

noarch

Unsupported Platforms

linux-64 Last supported version: 1.5.2
macOS-64 Last supported version: 1.5.2