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Dependencies
- ase <4.0.0,>=3.28.0
- biopython >=1.7.0
- mdanalysis <3.0.0,>=2.9.0
- numpy <2.5.0,>=2.0.0
- pandas <3.1.0,>=2.3.0
- plotly <6.8.0,>=6.0.0
- pykvfinder <1.0.0,>=0.9.0
- scikit-learn <2.0.0,>=1.7.0
- tqdm >=4.67.0
5 optional dependencies
- black[dev]
- flake8[dev]
- pytest[dev]
- sphinx[docs]
- sphinx-rtd-theme[docs]