setup.py

from setuptools import find_packages, setup

setup(
    name="m2models",
    version="0.0.1",
    description="M2Hub: Unlocking the Potential of Machine Learning for Materials Discovery",
    url="https://github.com/yuanqidu/M2Hub/tree/master",
    packages=find_packages(),
    include_package_data=True,
    install_requires=[
                      "ase==3.21.1",
                      "black==22.3.0",
                      "torch==1.13.1", 
                      "torchvision==0.14.1 ", 
                      "torchaudio==0.13.1", 
                      "torch_geometric",
                      "pymatgen",
                      "jarvis-tools",
                      "rdkit",
                      "pre-commit==2.10.*",
                      "syrupy==3.0.6",
                      "submitit",
                      "numba",
                      "lmdb",
                      "PyYAML",
                      "pydantic",
                      "wandb==0.14.0",
                      "dgl",
                      "dglgo",
                      "tqdm",
                      "scikit-learn",
                      "scipy",
                      "matplotlib",
                      "e3nn==0.4.4",
                      "torch-scatter",
                      ]
)