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setup.py
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setup.py
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#!/usr/bin/env python
from setuptools import setup, find_packages
from oddt import __version__ as VERSION
setup(name='oddt',
version=VERSION,
description='Open Drug Discovery Toolkit',
author='Maciej Wojcikowski',
author_email='mwojcikowski@ibb.waw.pl',
url='https://github.com/oddt/oddt',
license='BSD',
packages=find_packages(),
package_data={'oddt.scoring.functions': ['NNScore/*.csv',
'RFScore/*.csv',
'PLECscore/*.json',
],
'oddt.toolkits.extras': ['pdb_residue_templates.smi'],
},
setup_requires=['numpy'],
install_requires=open('requirements.txt', 'r').readlines(),
download_url='https://github.com/oddt/oddt/tarball/%s' % VERSION,
keywords=['cheminformatics', 'qsar', 'virtual screening', 'docking', 'pipeline'],
scripts=['bin/oddt_cli'],
)