pyproject.toml

[build-system]
requires = ["hatchling"]
build-backend = "hatchling.build"

[project]
name = "fcd"
version = "1.2.2"
dependencies = ["torch", "numpy", "scipy", "rdkit"]
requires-python = ">=3.8"
authors = [
    { name = "Philipp Renz", email = "renz.ph@gmail.com" },
]
description = "Fréchet ChEMNet Distance"
readme = "README.md"
license = { file = "LICENSE" }
keywords = ["cheminformatics", "machine learning", "deep learning", "generative models"]
classifiers = [
    "Programming Language :: Python :: 3",
    "Development Status :: 5 - Production/Stable",
]

[project.urls]
Homepage = "https://github.com/bioinf-jku/FCD"
Documentation = "https://github.com/bioinf-jku/FCD"
Repository = "https://github.com/bioinf-jku/FCD"

[tool.ruff]
# Exclude a variety of commonly ignored directories.
exclude = [
    ".bzr",
    ".direnv",
    ".eggs",
    ".git",
    ".git-rewrite",
    ".hg",
    ".ipynb_checkpoints",
    ".mypy_cache",
    ".nox",
    ".pants.d",
    ".pyenv",
    ".pytest_cache",
    ".pytype",
    ".ruff_cache",
    ".svn",
    ".tox",
    ".venv",
    ".vscode",
    "__pypackages__",
    "_build",
    "buck-out",
    "build",
    "dist",
    "node_modules",
    "site-packages",
    "venv",
]

# Same as Black.
line-length = 120
indent-width = 4

# Assume Python 3.8
target-version = "py38"