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Author:
None
Summary:
A comprehensive Python package for molecular structure-activity relationship (QSAR/QSPR) studies with interactive SHAP visualization and AI-powered analysis
Latest version:
3.0.2
Required dependencies:
cclib
|
click
|
dash
|
joblib
|
matplotlib
|
numpy
|
openbabel-wheel
|
pandas
|
pathlib2
|
plotly
|
pyyaml
|
scikit-learn
|
scipy
|
seaborn
|
shap
|
toml
|
tqdm
|
xgboost
|
zhipuai
Optional dependencies:
black
|
flake8
|
ipython
|
ipywidgets
|
jupyter
|
matplotlib
|
notebook
|
plotly
|
py3dmol
|
pytest
|
pytest-cov
|
seaborn
|
sphinx
|
sphinx-rtd-theme
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