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| Dependency | Optional | Group |
|---|---|---|
| filelock | false | |
| griddataformats | false | |
| joblib | false | |
| matplotlib | false |
| Package | Optional | Group |
|---|---|---|
| mdahole2 | false | |
| mdanalysistests | false | |
| openmm-mdanalysis-reporter | false | |
| pathsimanalysis | false | |
| waterdynamics | false | |
| atomate2 | true | openmm |
| imdclient | true | test |
| nglview | true | mdanalysis |
| mda-xdrlib | false |
| mmtf-python | false |
| numpy | false |
| packaging | false |
| scipy | false |
| threadpoolctl | false |
| tqdm | false |
| biopython | true | analysis |
| chemfiles | true | extra-formats |
| dask | true | parallel |
| gsd | true | extra-formats |
| h5py | true | extra-formats |
| imdclient | true | extra-formats |
| mdahole2 | true | analysis |
| mdanalysis-sphinx-theme | true | doc |
| netcdf4 | true | extra-formats |
| networkx | true | analysis |
| parmed | true | extra-formats |
| pathsimanalysis | true | analysis |
| pybtex | true | doc |
| pybtex-docutils | true | doc |
| pyedr | true | extra-formats |
| pytng | true | extra-formats |
| rdkit | true | extra-formats |
| scikit-learn | true | analysis |
| seaborn | true | analysis |
| sphinx | true | doc |
| sphinx-sitemap | true | doc |
| sphinxcontrib-bibtex | true | doc |
| tidynamics | true | analysis |
| waterdynamics | true | analysis |