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Author:
None
License:
MIT
Summary:
ProQSAR — automation utilities for QSAR workflows (standardization, featurization, model building & evaluation).
Latest version:
0.0.9
Required dependencies:
catboost
|
joblib
|
mapie
|
matplotlib
|
numpy
|
optuna
|
pandas
|
pingouin
|
rdkit
|
scikit-learn
|
scikit-posthocs
|
scipy
|
seaborn
|
statsmodels
|
xgboost
Optional dependencies:
black
|
catboost
|
lightgbm
|
mordred
|
mypy
|
plotly
|
pre-commit
|
pytest
|
ruff
|
seaborn
|
sphinx
|
sphinx-rtd-theme
|
sphinxcontrib-bibtex
|
towncrier
|
xgboost
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