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License:
BSD-3-Clause
Summary:
A Python cheminformatics toolkit for molecular analysis and machine learning.
Latest version:
1.2.1
Required dependencies:
bokeh
|
chembl-structure-pipeline
|
ipython
|
joblib
|
matplotlib
|
mordredcommunity
|
myst-parser
|
numpy
|
openpyxl
|
pandas
|
pillow
|
py3dmol
|
pytest
|
rdkit
|
scikit-learn
|
scipy
|
seaborn
|
selfies
|
shap
|
sphinx
|
tqdm
|
umap-learn
|
xgboost
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