# Virtual environments
.venv/
.venv311/
venv/
env/
*_env/
test_env2/

# Build artifacts
build/
dist/
*.egg-info/
docs/build/
docs/source/_build/

# Packaging metadata
*.egg-info/

# Python cache
__pycache__/
*.pyc
*.py[cod]
*$py.class
*.so
.Python

# Python
__pycache__/
*.pyc
*.pyo
*.pyd
.Python
*.so


# Output files
*_output/
demos/

# Slides
slides/FastMDAnalysis_demo_slides.pptx
*.pptx

# OS files
.DS_Store
Thumbs.db

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

# Test/backup files
*.bak
.pytest_cache/
.coverage
htmlcov/
.python-version

# Working and Old files
hsp90_casestudy.md
**/old_*.py
**/old_*/
.github/workflows/old_*.yml

# Note
NOTE
coverage.xml
examples/ubiquitin-md-generated-ensemble/
hsp90_casestudy_indev.md

# Local validation / scratch
.venv-pypi-validation/
validation_output*/
Ubiquitin/

# Large example data (keep out of git)
examples/*.dcd
examples/*.xtc
examples/*.trr
examples/*.nc
examples/*.h5
examples/*.lh5
examples/*.pdb
examples/*.gro
