Tutorials

Below are some tutorials to help you get started with using the library.

You can run the Jupyter notebooks directly by cloning the repository and opening them in Jupyter Notebook or JupyterLab.

API Tutorials

• Working with the Cinnabar API
• Plotting Relative and Absolute Free Energy Predictions with cinnabar
• Plotting Relative Free Energies (ΔΔG)
• Plotting Absolute Free Energies (ΔG)
• Plotting All ΔΔGs (from reconstructed ΔGs)
• Calculating Error and Correlation Metrics Manually
• Visualizing Error Distributions with ECDF Plots