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

# Tooling
.pytest_cache/
.ruff_cache/
.mypy_cache/
.coverage

# Runtime data (simulation projects & job registry)
projects/
.jobs.json
.jobs.lock

# GROMACS artefacts (in case any land in-tree)
*.trr
*.xtc
*.edr
*.cpt
*.tpr
\#*\#

# OS / editor
.DS_Store
.idea/
.vscode/

# claude-mem auto-generated context (not part of the package)
CLAUDE.md
**/CLAUDE.md
