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setup.py
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setup.py
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from setuptools import setup, find_packages
setup(
name='cnns4qspr',
description='A package for creating rich, equivariant, structural and chemical features from protein structure data.',
url='https://https://github.com/CNNs4QSPR/cnns4qspr',
author=[
'Orion Dollar',
'David Juergens',
'Nisarg Joshi',
'Saransh Jain'
],
author_email=[
'orion.dollar@gmail.com',
'davidcj@uw.edu',
'nisargj@uw.edu',
'saranshj$uw.edu',
],
license='MIT License',
packages=find_packages(),
install_requires=[
'numpy',
'scipy',
'torch',
'pandas',
'plotly.express',
'biopandas',
'se3cnn',
'lie_learn',
],
dependency_links=[
'https://github.com/AMLab-Amsterdam/lie_learn',
'https://github.com/blondegeek/se3cnn',
],
classifiers=[
'Intended Audience :: Science/Research',
'License :: OSI Approved :: MIT License',
'Operating System :: POSIX :: Linux',
'Programming Language :: Python :: 3.7',
],
)