setup.py

from setuptools import find_packages, setup

setup(
    name="chemlm",
    version="0.1.0",
    description="SMILES-based chemical language models for de novo drug design.",
    long_description=open("README.md", encoding="utf-8").read(),
    long_description_content_type="text/markdown",
    author="Islamomar-1",
    license="MIT",
    packages=find_packages(include=["data", "data.*", "models", "models.*"]),
    python_requires=">=3.9",
    install_requires=[
        "torch>=2.1",
        "transformers>=4.38",
        "rdkit>=2023.9.1",
        "numpy>=1.24",
    ],
    extras_require={
        "dev": ["pytest>=7.4", "black>=24.0", "wandb>=0.16"],
    },
    classifiers=[
        "Programming Language :: Python :: 3",
        "License :: OSI Approved :: MIT License",
        "Operating System :: OS Independent",
        "Topic :: Scientific/Engineering :: Chemistry",
        "Topic :: Scientific/Engineering :: Artificial Intelligence",
    ],
)