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* Added metadata for PathSimAnalysis MDAKit * Added orbeckst as maintainer * Added IAlibay as maintainer * Added lilyminium as a maintainer * Part of moving waterdynamics from MDAnalysis.analysis to its own MDAKit, see MDAnalysis/mdanalysis#4310
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project_name: PathSimAnalysis | ||
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authors: | ||
- https://github.com/MDAnalysis/PathSimAnalysis/blob/main/AUTHORS.md | ||
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maintainers: | ||
- IAlibay | ||
- ianmkenney | ||
- lilyminium | ||
- orbeckst | ||
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description: | ||
An MDAKit that calculates the geometric similarity of molecular dynamics trajectories using path metrics such as the Hausdorff or Fréchet distances. | ||
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keywords: | ||
- similarity | ||
- paths | ||
- metrics | ||
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license: GPL-2.0-or-later | ||
project_home: https://github.com/MDAnalysis/PathSimAnalysis/ | ||
documentation_home: https://mdanalysis.org/PathSimAnalysis | ||
documentation_type: API | ||
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install: | ||
- pip install pathsimanalysis | ||
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src_install: | ||
- pip install git+https://github.com/MDAnalysis/PathSimAnalysis@main | ||
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import_name: pathsimanalysis | ||
python_requires: ">=3.9" | ||
mdanalysis_requires: ">=2.0.0" | ||
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run_tests: | ||
- pytest --pyargs pathsimanalysis | ||
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test_dependencies: | ||
- mamba install pytest MDAnalysisTests | ||
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project_org: MDAnalysis | ||
development_status: Production/Stable | ||
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publications: | ||
- https://doi.org/10.1371/journal.pcbi.1004568 | ||
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changelog: https://github.com/MDAnalysis/PathSimAnalysis/blob/main/CHANGELOG.md |