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Dependencies
- ase >=3.26.0
- biopython >=1.85.0
- mdanalysis >=2.9.0
- numpy >=2.2.0
- pandas >=2.3.0
- plotly <6.6.0,>=6.0.0
- pykvfinder >=0.8.3
- scikit-learn >=1.7.0
- tqdm >=4.67.0
5 optional dependencies
- black[dev]
- flake8[dev]
- pytest[dev]
- sphinx[docs]
- sphinx-rtd-theme[docs]