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molflux


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Author: Exscientia
Summary: A foundational package for molecular predictive modelling
Latest version: 0.8.0
Required dependencies: boto3 | botocore | catboost | cloudpathlib | colorama | datasets | evaluate | fsspec | h5py | joblib | mergedeep | more-itertools | numpy | pandas | pyarrow | pydantic | python-dateutil | pyyaml | requests | scikit-learn | scipy | tenacity | thefuzz | tqdm | typing-extensions
Optional dependencies: catboost | class-resolver | combo | coverage | gpytorch | ipywidgets | jupytext | lightning | mapie | matplotlib | mhfp | mock | moto | mypy | myst-nb | nox | openeye-toolkits | pre-commit | pyod | pystan | pytdc | pytest | rdkit | scikit-learn | sphinx | sphinx-book-theme | sphinx-design | sphinx-inline-tabs | sphinx-sitemap | sphinx-togglebutton | sphinx-toolbox | torch | types-mock | types-python-dateutil | types-pytz | types-pyyaml | types-requests | types-setuptools | xgboost

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