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setup.py
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from setuptools import find_packages, setup
with open("README.md", "r") as fh:
long_description = fh.read()
setup(name='PELEAnalysis-Processing',
packages=find_packages(),
version='1.0.0',
license='MIT',
long_description=long_description,
long_description_content_type="text/markdown",
description='Tools for MD & PELE analysis, preparation of the system, mutation of PDB files using Schrodinger python API, tools to study esterases, and more',
author='Sergi Rodà',
author_email='sergi.rodallordes@bsc.es',
classifiers=[
"License :: OSI Approved :: MIT License",
"Operating System :: OS Independent"],
url='https://github.com/SergiR1996/PELEAnalysis-Processing',
install_requires=['argparse', 'math', 'matplotlib', 'numpy', 'sklearn', 'pandas', 'mdtraj', 'seaborn', 'scipy', 'pickle', 'mlxtend', 'itertools', 'multiprocessing', 'time'],
)