# Python
__pycache__/
*.py[cod]
*.egg-info/
build/
dist/

# Environments
.venv/
venv/
.env

# Tooling caches
.pytest_cache/
.mypy_cache/
.ruff_cache/
.coverage
.coverage.*
htmlcov/
coverage.xml

# IDE
.idea/
.vscode/

# Data and indexes (never commit PubChem dumps or fingerprint files)
*.sdf.gz
*.h5
*.parquet
/data/
