from distutils.core import setup


setup(
    name = 'ChemSpaceAL',
    packages = ['ChemSpaceAL'],
    version = '1.0.3',
    description = 'ChemSpaceAL Python package: an efficient active learning methodology applied to protein-specific molecular generation',
    install_requires=[
    'prolif==2.0.0.post1',
    'rdkit==2023.3.3',
    'wandb==0.15.10',
    ],
    author = 'Gregory W. Kyro, Anton Morgunov & Rafael I. Brent',
    author_email = 'gregory.kyro@yale.edu',
    url = 'https://github.com/gregory-kyro/ChemSpaceAL/tree/main',
    download_url = 'https://github.com/gregory-kyro/ChemSpaceAL/archive/refs/tags/v1.0.3.tar.gz',
    keywords = ['active learning', 'artificial intelligence', 'deep learning', 'machine learning', 'molecular generation', 'drug discovery'],
    classifiers = []
)
