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rdkit-pypi pytoda==1.0.2 paccmann_predictor @ git+https://github.com/PaccMann/[email protected] tqdm connexion==2.6.0 swagger-ui-bundle==0.0.2 python_dateutil==2.6.1 setuptools>=21.0.0 numpy>=1.14.3 scikit-learn==0.22 pandas==0.25.3 torch>=1.3.0 matplotlib==3.3.4 seaborn==0.11.2 boto3==1.34.124 boto3_type_annotations==0.3.1 gunicorn==20.0.4 regex==2020.1.8 bokeh==1.4.0 importlib_resources |