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openpathsampling

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.

Ecosystem
conda-forge.org
Latest Release
1.5.2
over 4 years ago
Versions
9
Dependent Packages
1
Dependent Repos
2
Links
Registry conda-forge.org
Source Repository
JSON API View JSON
CodeMeta codemeta.json
Package Details
PURL pkg:conda/openpathsampling?repository_url=https://conda-forge.org
spec
License MIT
First Release about 6 years ago
Last Synced 17 days ago
Repository
Stars 87 on GitHub
Forks 48 on GitHub