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setup.py
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setup.py
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#!/usr/bin/env python
import setuptools
with open("README.md", "r") as fh:
long_description = fh.read()
setuptools.setup(
name="group_selfies",
version="1.0.0",
author="Austin Cheng, Andy Cai, Mario Krenn, Alston Lo, and many other contributors",
author_email="[email protected], [email protected]",
description="Group SELFIES incorporates group tokens which represent functional groups or entire substructures into SELFIES while maintaining robustness.",
long_description=long_description,
long_description_content_type="text/markdown",
url="https://github.com/aspuru-guzik-group/group-selfies",
packages=setuptools.find_packages(),
package_data = {
'': ['*'],
'test': ['*.txt']
},
classifiers=[
"Programming Language :: Python :: 3",
"Programming Language :: Python :: 3.5",
"Programming Language :: Python :: 3.6",
"Programming Language :: Python :: 3.7",
"Programming Language :: Python :: 3.8",
"Programming Language :: Python :: 3 :: Only",
"License :: OSI Approved :: Apache Software License",
"Operating System :: OS Independent",
],
python_requires='>=3.5',
install_requires=[
'networkx',
'tqdm',
'rdkit',
'global_chem',
]
)