setup.py

from setuptools import find_packages, setup

__version__ = '0.3.14'
URL = 'https://proteinshake.readthedocs.io/en/latest/index.html'

install_requires = [
    'biopandas>=0.4.1',
    'pandas>=1.4.3',
    'rdkit-pypi>=2022.3.3',
    'tqdm>=4.64.0',
    'scikit-learn>=1.1.1',
    'joblib>=1.2.0',
    'requests>=2.27.1',
    'fastavro>=1.6.1',
    'freesasa>=2.2.0.post3',
    'goatools>=1.3.1',
]
test_requires = [
    'pytest',
]

setup(
    name='proteinshake',
    version=__version__,
    description='Protein structure datasets for machine learning.',
    author = "Tim Kucera, Carlos Oliver, Dexiong Chen, Karsten Borgwardt",
    author_email = "kucera@biochem.mpg.de",
    url=URL,
    keywords = ['bioinformatics',
                'deep-learning',
                'computational-biology',
                'macromolecular-structure'],
    python_requires='>=3.7',
    install_requires=install_requires,
    packages=find_packages(),
    include_package_data=True,
)