[build-system] requires = ["setuptools>=68"] build-backend = "setuptools.build_meta" [project] name = "dooable" version = "0.1.0" description = "Learning target distributions with budgeted executable paths" requires-python = ">=3.12" dependencies = ["numpy>=1.26", "scipy>=1.11", "pandas>=2.0", "rdkit>=2024.3", "torch>=2.6", "matplotlib>=3.8", "scikit-learn>=1.4", "requests>=2.31", "PyYAML>=6.0", "joblib>=1.3"] [project.optional-dependencies] test = ["pytest>=8"] [project.scripts] dooable = "dooable.cli:main" [tool.setuptools.packages.find] where = ["src"] [tool.pytest.ini_options] testpaths = ["tests"]