├── .github └── workflows │ └── test.yml ├── .gitignore ├── CITATION.cff ├── LICENSE ├── README.md ├── examples ├── complex_examples.ipynb ├── example.csv ├── hte_data.csv ├── incompatibilities_with_plotly.ipynb ├── ligand_poses.sdf ├── multiple_smiles_columns.ipynb ├── pose_centroids_molplotly.ipynb ├── simple_usage_and_formatting.ipynb ├── test_data.csv └── visualize_hte_reactions.ipynb ├── images ├── caption.gif ├── cluster.gif ├── color.gif ├── default.png ├── example.gif ├── example.png ├── marginal.png ├── matrix.png ├── multiple_smiles.gif ├── pca.gif ├── strip.gif └── violin.png ├── molplotly ├── __init__.py └── main.py ├── setup.py ├── setup_pip.py └── tests ├── __init__.py └── test_add_molecules.py /.github/workflows/test.yml: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/wjm41/molplotly/HEAD/.github/workflows/test.yml -------------------------------------------------------------------------------- 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