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PROTAC-Degradation-Predictor

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ribesstefano commited on Apr 22

Commit

74be897

•

1 Parent(s): ea572f9

added rdkit to setup

Files changed (1) hide show

setup.py CHANGED Viewed

@@ -9,7 +9,7 @@ setuptools.setup(
     description="A package to predict PROTAC-induced protein degradation.",
     long_description=open("README.md").read(),
     packages=setuptools.find_packages(),
-    install_requires=["torch", "pytorch_lightning", "sklearn", "imblearn", "pandas", "joblib", "h5py", "optuna", "torchmetrics"],
     classifiers=[
         "Programming Language :: Python :: 3",
         "Programming Language :: Python :: 3.6",

     description="A package to predict PROTAC-induced protein degradation.",
     long_description=open("README.md").read(),
     packages=setuptools.find_packages(),
+    install_requires=["torch", "pytorch_lightning", "scikit-learn", "imblearn", "rdkit-pypi", "pandas", "joblib", "h5py", "optuna", "torchmetrics"],
     classifiers=[
         "Programming Language :: Python :: 3",
         "Programming Language :: Python :: 3.6",