| # 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/ | |
| # IDE | |
| .vscode/ | |
| .idea/ | |
| *.swp | |
| *.swo | |
| # OS | |
| .DS_Store | |
| Thumbs.db | |
| # Project specific | |
| output/ | |
| *.log | |
| *.tmp | |
| temp/ | |
| # PDB files (optional - remove if you want to include example PDBs) | |
| *.pdb | |
| *.ent | |
| # AMBER files | |
| *.prmtop | |
| *.inpcrd | |
| *.rst | |
| *.rst7 | |
| *.ncrst | |
| *.mdcrd | |
| *.nc | |
| *.dcd | |
| *.xtc | |
| *.trr | |
| # Test data (local only; binaries not allowed on HF Hub) | |
| Test/ | |