pyproject.toml

[build-system]
requires = ["hatchling>=1.27"]
build-backend = "hatchling.build"

[project]
name = "binder-filter"
version = "0.2.0"
description = "Reproducible dual-model prioritization of generated peptide and miniprotein binders"
readme = "README.md"
requires-python = ">=3.11,<3.13"
license = {text = "Apache-2.0"}
authors = [{name = "Binder Filter contributors"}]
dependencies = [
  "gemmi==0.7.3",
  "huggingface-hub==0.36.2",
  "hf-transfer==0.1.9",
  "numpy==2.3.2",
  "pydantic==2.11.7",
  "PyYAML==6.0.2",
  "rdkit==2025.3.5",
  "reportlab==4.4.3",
]

[project.optional-dependencies]
test = ["pytest==8.4.1", "pytest-cov==6.2.1"]

[project.scripts]
binder-filter = "binder_filter.cli:main"

[tool.pytest.ini_options]
addopts = "-ra"
testpaths = ["tests"]
markers = ["gpu: requires real model weights and a supported NVIDIA GPU"]

[tool.hatch.build.targets.wheel]
packages = ["src/binder_filter"]