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Author:
rkakamilan
License:
MIT
Summary:
Generic MD analysis tools for protein-ligand simulations
Latest version:
0.3.1
Required dependencies:
matplotlib
|
mdanalysis
|
numpy
|
pandas
|
pydantic
|
scipy
|
seaborn
Optional dependencies:
cairosvg
|
google-api-python-client
|
google-auth
|
google-auth-oauthlib
|
ipykernel
|
ipywidgets
|
jupyterlab
|
mdahole2
|
nglview
|
openmm
|
pdbfixer
|
pillow
|
posebusters
|
prolif
|
pytest
|
pytest-cov
|
rdkit
|
scikit-learn
|
tqdm
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