pyproject.toml

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

[project]
name = "drugsight"
version = "0.1.0"
description = "AI-Powered Drug Repurposing Engine Built on AlphaFold's Open Data"
readme = "README.md"
license = "MIT"
requires-python = ">=3.11"
dependencies = [
    "requests>=2.31",
    "pandas>=2.1",
    "biopython>=1.83",
    "lightgbm>=4.2",
    "shap>=0.44",
    "streamlit>=1.30",
    "plotly>=5.18",
    "stmol>=0.0.9",
    "fpdf2>=2.7",
    "meeko>=0.5",
]

[project.optional-dependencies]
rdkit = ["rdkit>=2023.9"]
dev = [
    "pytest>=7.4",
    "pytest-mock>=3.12",
    "responses>=0.24",
]

[tool.pytest.ini_options]
testpaths = ["tests"]
pythonpath = ["src"]

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