ssBind/setup.py at main · MobleyLab/ssBind · GitHub

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from setuptools import find_packages, setup

setup(
    name="ssBind",
    version="0.1.0",
    description="ssBind - Substructure-based alternative BINDing modes generator for protein-ligand systems",
    classifiers=[
        "Development Status :: 4 - Beta",
        "Intended Audience :: Science/Research",
        "Natural Language :: English",
        "License :: OSI Approved :: MIT License",
        "Programming Language :: Python :: 3.5",
        "Programming Language :: Python :: 3.6",
        "Programming Language :: Python :: 3.7",
        "Programming Language :: Python :: 3.8",
        "Programming Language :: Python :: 3.9",
        "Topic :: Scientific/Engineering :: Bio-Informatics",
        "Topic :: Scientific/Engineering :: Chemistry",
    ],
    url="https://github.com/suleymanselim/ssBind",
    author="Suleyman Selim Cinaroglu",
    author_email="scinarog@uci.edu",
    license="MIT",
    keywords=["molecular modeling", "drug design", "docking", "protein-ligand"],
    include_package_data=True,
    packages=find_packages(),
    scripts=["ssBind/run_ssBind.py"],
    install_requires=[
        "numpy",
        "pandas",
        "MDAnalysis",
        "MDAnalysisTests",
        "acpype",
        "spyrmsd",
        "rdkit",
        "openbabel-wheel",
        "meeko",
        "pytest",
        "scikit-learn",
        "networkx",
        "seaborn",
    ],
    zip_safe=False,
)