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Author:
None
Summary:
Bayesian workflows for fixed-charge molecular force fields
Latest version:
0.3.0
Required dependencies:
gmxtopology
|
matplotlib
|
mdanalysis
|
numpy
|
pytest
|
pyyaml
|
scipy
|
typer
Optional dependencies:
build
|
ipykernel
|
ipython
|
ipywidgets
|
jupyterlab
|
mkdocs
|
mkdocs-material
|
notebook
|
pymdown-extensions
|
ruff
|
twine
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