pyproject.toml

[project]
name = "chython-rxnmap"
version = "2.0"
description = "ONNX model weights for chython atom-to-atom mapping"
authors = [{name = "Ramil Nugmanov", email = "nougmanoff@protonmail.com"}]
license = {text = "LGPLv3+"}
readme = "README.md"
requires-python = ">=3.10"

classifiers = [
    "Environment :: Plugins",
    "Intended Audience :: Science/Research",
    "License :: OSI Approved :: GNU Lesser General Public License v3 or later (LGPLv3+)",
    "Operating System :: OS Independent",
    "Programming Language :: Python",
    "Programming Language :: Python :: 3 :: Only",
    "Programming Language :: Python :: 3.10",
    "Topic :: Scientific/Engineering",
    "Topic :: Scientific/Engineering :: Chemistry",
]

[project.urls]
Homepage = "https://github.com/chython/chytorch-rxnmap"

[build-system]
requires = ["setuptools>=68.0"]
build-backend = "setuptools.build_meta"

[tool.setuptools.package-data]
chython_rxnmap = ["rxnmap.onnx"]