protpardelle-1c/pyproject.toml at main · ProteinDesignLab/protpardelle-1c · GitHub

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[build-system]
requires = ["setuptools>=61", "wheel"]
build-backend = "setuptools.build_meta"

[project]
name = "protpardelle"
authors = [
    { name = "Tianyu Lu", email = "tianyulu@stanford.edu" },
    { name = "Richard Shuai", email = "rshuai@stanford.edu" },
    { name = "Petr Kouba", email = "petrkouba3@gmail.com" },
    { name = "Zhaoyang Li", email = "zhaoyangli@stanford.edu" },
    { name = "Yilin Chen", email = "yilinc5@stanford.edu" },
    { name = "Akio Shirali", email = "akios@stanford.edu" },
    { name = "Jinho Kim", email = "zhkim216@stanford.edu" },
    { name = "Po-Ssu Huang", email = "possu@stanford.edu" },
]
license = { file = "LICENSE" }
dynamic = ["version"]
description = "Conditional Protein Structure Generation with Protpardelle-1c"
readme = "README.md"
requires-python = ">=3.10"

# Required dependencies
dependencies = [
    "biopython",
    "biotite",
    "dm-tree",
    "einops",
    "huggingface_hub",
    "hydra-core",
    "jaxtyping",
    "jupyter",
    "ml_collections",
    "modelcif",
    "numpy",
    "omegaconf",
    "pandas",
    "prody",
    "pyyaml",
    "scipy",
    "torch>=2.6.0",
    "tqdm",
    "transformers",
    "typer",
    "wandb",
]

[project.optional-dependencies]
dev = ["pytest", "pytest-cov", "pre-commit"]
viz = ["py3dmol", "matplotlib", "seaborn"]

[tool.pytest.ini_options]
addopts = "-v -s"
testpaths = ["tests"]

[tool.setuptools.dynamic]
version = { attr = "protpardelle.__version__" }

[tool.setuptools.packages.find]
where = ["src"]
include = ["protpardelle", "protpardelle.*"]

[tool.setuptools.package-data]
protpardelle = ["configs/**/*.yaml"]