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Author:
Christian W. Feldmann, Jennifer Hemmerich, Jochen Sieg, Kyriakos Soulios
Summary:
Integration of rdkit functionality into sklearn pipelines.
Latest version:
0.13.1
Required dependencies:
crepes
|
joblib
|
loguru
|
matplotlib
|
numpy
|
pandas
|
rdkit
|
scikit-learn
|
scipy
|
shap
|
typing-extensions
Optional dependencies:
chemprop
|
dvc
|
jupyterlab
|
lightning
|
requests
|
seaborn
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