__pycache__/
*.py[cod]
*.so
*.pyd
.pytest_cache/
.mypy_cache/
.ruff_cache/
build/
dist/
wheelhouse/
*.egg-info/
_skbuild/
test_data/
wheels/
*.whl
*.tar.gz
.venv/
venv/
.DS_Store
.idea/
.vscode/
.coverage
htmlcov/

# Manuscript material lives outside the repo (~/Documents/chemur_paper)
paper/

# Default --split-by-ligand-dir for `chemur analyze`; generated output, never source.
ligand_outputs/
