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biosim-extractor


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Author: None
Summary: Extract simulation metadata from MD output files
Latest version: 0.0.9
Required dependencies: biopython | linkml | mdanalysis | rdkit
Optional dependencies: furo | markupsafe | nbsphinx | pre-commit | pylint | pytest | pytest-cov | pytest-sugar | ruff | sphinx | sphinx_copybutton | sphinx_rtd_theme | sphinxcontrib-contentui | sphinxcontrib-details-directive

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