MoleCode/.gitignore at main · AtomFlow-AI/MoleCode · GitHub

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# ── MoleCode repo: only molecode/, examples/, docs/ and the top-level
#    packaging files are tracked. Everything below is local research material
#    or build/cache cruft that must NOT be published.

# Original research working dirs (kept locally, never committed).
# Leading slash anchors to repo root so molecode/markush/ is NOT matched.
/mgl_code/
/markush/
/MoleCode_paper/
/__MACOSX/

# macOS
.DS_Store
**/.DS_Store

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

# Virtual environments
.venv/
venv/
env/

# Editor / misc
*.swp
*.swo
.idea/
.vscode/

# Large local artifacts / scratch
*.zip
*.png.bak
molecode_ocsr_demo.png      # generated by examples/08_image_to_molecode.py
*.mmd                        # scratch MoleCode graphs from the file-based workflow
*.smi