ZEROPAIN/.gitignore at master · SWORDIntel/ZEROPAIN · GitHub

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# Python
__pycache__/
*.py[cod]
*$py.class
*.so
.Python
build/
develop-eggs/
dist/
downloads/
eggs/
.eggs/
lib/
lib64/
parts/
sdist/
var/
wheels/
*.egg-info/
.installed.cfg
*.egg

# Virtual environments
venv/
env/
ENV/
zeropain_env/

# Jupyter Notebook
.ipynb_checkpoints
*.ipynb_checkpoints/

# IDE
.vscode/
.idea/
*.swp
*.swo
*~
.DS_Store

# Results and data
results/
outputs/
*.log
*.csv
*.json
!requirements.json
!package.json

# Custom compounds (keep template but ignore user data)
custom_compounds.json

# Testing
.pytest_cache/
.coverage
htmlcov/
.tox/

# Documentation builds
docs/_build/
site/

# Temporary files
*.tmp
*.bak
.cache/

# Molecular modeling
*.pdb
*.pdbqt
*.mol2
*.sdf
data/receptors/*.pdb
data/results/

# Web frontend
web/frontend/node_modules/
web/frontend/dist/
web/frontend/build/
*.map

# Database
*.db
*.sqlite
*.sqlite3

# Job storage
active_jobs/
completed_jobs/