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18 optional dependencies
- mdanalysis[modelling]
- mdanalysis[all]
- myst-parser[docs]
- openbabel-wheel[modelling]
- openbabel-wheel[all]
- peptides[all]
- peptides[modelling]
- prolif[modelling]
- prolif[all]
- rdkit[modelling]
- rdkit[all]
- scikit-learn[all]
- sphinx[docs]
- sphinxcontrib-bibtex[docs]
- sphinx-copybutton[docs]
- sphinx-design[docs]
- sphinx-rtd-theme[docs]
- umap-learn[all]