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Summary:
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Latest version:
2026.10.13.0
Required dependencies:
mdanalysis
|
networkx
|
numpy
|
openmm
|
rmsd
|
stk
Optional dependencies:
build
|
gfnff
|
moldoc
|
mypy
|
openmm-cuda-12
|
pytest
|
pytest-cov
|
pytest-datadir
|
pytest-lazy-fixtures
|
ruff
|
sphinx
|
sphinx-copybutton
|
sphinx-rtd-theme
|
torch
|
twine
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