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
conda-forge.org
Latest Release
over 4 years ago
1.5.2
over 4 years ago
Versions
9
9
Dependent Packages
1
1
Dependent Repos
2
2
openpathsampling-cli 0.2.1
OpenPathSampling (OPS) is a powerful Python library for path sampling simulations. The openpathsa...6 versions - Latest release: almost 5 years ago - 1 dependent repositories - 2 stars on GitHub
Past Dependents
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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 | 16 days ago |
Repository
| Stars | 87 on GitHub |
| Forks | 48 on GitHub |