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Author:
Hoang-Son Lai Le
Summary:
ProDock — automation utilities for molecular docking workflows.
Latest version:
0.5.0
Required dependencies:
ipywidgets
|
matplotlib
|
meeko
|
openbabel-wheel
|
pandas
|
prolif
|
py3dmol
|
pymol-open-source
|
rdkit
|
tqdm
|
vina
Optional dependencies:
black
|
flake8
|
joblib
|
numpy
|
optuna
|
pydata-sphinx-theme
|
pytest
|
scikit-learn
|
scipy
|
seaborn
|
sphinx
|
sphinxcontrib-bibtex
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