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Author:
Jas Kalayan
Summary:
Extract simulation metadata from MD output files
Latest version:
1.1.0
Required dependencies:
biopython
|
biosim-schema
|
linkml
|
mdanalysis
|
rdkit
|
xxhash
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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