setup.py

from setuptools import setup, find_packages

setup(
    name='pairmap',
    version="1.2",
    packages=find_packages(),
    install_requires=[
        'networkx',
        'numpy',
        'rdkit>=2021.03.1',
        'tqdm',
        'lomap2'
    ],
    author='Furui K',
    author_email='furui@li.c.titech.ac.jp',
    description='A comprehensive tool, PairMap, for the calculation of relative binding free energies in complex compound transformations, involving exhaustive generation of intermediates and construction of intermediate-induced perturbation maps.',
    keywords='pairmap, relative binding free energy, intermediate, perturbation map, free energy perturbation',
)