# Byte-compiled / optimized / DLL files
__pycache__/
*.py[cod]
*$py.class
.ipynb_checkpoints/

# Distribution / packaging
.Python
build/
develop-eggs/
dist/
downloads/
eggs/
.eggs/
lib/
lib64/
parts/
sdist/
var/
wheels/
share/python-wheels/
*.egg-info/
.installed.cfg
*.egg
MANIFEST

# Environments
.env
.venv
env/
venv/
ENV/
env.bak/
venv.bak/

# IDEs / Editors
.vscode/
.idea/
*.sublime-project
*.sublime-workspace


# Custom directories and files
input/
src/db
output/
tmp/
results/
src/.alphafold_cache/
src/.pdb_cache/

*.json
*.csv
*.cif
*.pdb
*.html
*.log
*.backup
*.parquet
.env

!examples/data/*.csv

# Test fixtures must be tracked despite the global *.json / *.csv rules above
!tests/**/*.json
!tests/**/*.csv
!tests/**/
