setup.py

from setuptools import setup, find_packages

with open("README.md", encoding="utf-8") as f:
    long_description = f.read()

setup(
    name="idp-molprop",
    version="0.1.0",
    description="Molecular property prediction + IDP-style peptide "
                "conformational sampling.",
    long_description=long_description,
    long_description_content_type="text/markdown",
    author="Create-source1",
    url="https://github.com/Create-source1/idp-molprop",
    license="MIT",
    packages=find_packages(exclude=["tests", "examples"]),
    python_requires=">=3.9",
    install_requires=[
        "rdkit>=2023.9.1",
        "scikit-learn>=1.3",
        "numpy>=1.24",
        "pandas>=2.0",
        "matplotlib>=3.7",
        "streamlit>=1.30",
    ],
    extras_require={
        "dev": ["pytest>=7.4"],
    },
    classifiers=[
        "Programming Language :: Python :: 3",
        "License :: OSI Approved :: MIT License",
        "Operating System :: OS Independent",
        "Topic :: Scientific/Engineering :: Chemistry",
        "Topic :: Scientific/Engineering :: Bio-Informatics",
    ],
)