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Dependencies
- babel <3,>=2.17.0
- click <9,>=8.2.1
- furo <2026,>=2025.7.19
- gromacs <0.0.1,>=0.0.0
- ipykernel <7,>=6.30.1
- matplotlib <4,>=3.10.5
- mdanalysis
- mpltern <2,>=1.0.4
- mypy
- natsort <9,>=8.4.0
- nbsphinx <0.10,>=0.9.6
- numpy <3,>=2.3.2
- pandas <3,>=2.3.1
- pandoc <3,>=2.4
- pathlib <2,>=1.0.1
- pint <0.25
- plotly <7,>=6.3.0
- pytest >=8.4.1
- pytest-cov >=6.2.1
- rdkit <2026,>=2025.3.5
- scipy <2,>=1.16.1
- seaborn <0.14,>=0.13.2
- sphinx
- sphinx-copybutton <0.6,>=0.5.2
- sphinx-gallery <0.20,>=0.19.0
- sphinx-rtd-theme <4,>=3.0.2
- stubs >=1.0.0
- sympy <2,>=1.14.0
- tree-format <0.2,>=0.1.2
- types-requests
- uncertainties <4,>=3.2.3