Examples

• 0. Minimal Example
• 1A. First Model
• 1B. Model Searching
• 1C. Hyperparameter Optimization
• 1D. BasicVis
• 2A. Confidence Interval
• 2B. Counterfactuals
• 2C. Error Model Integration
• 2D. Visualizing Errors
• 2E. All Together
• 2F. Using PyG ChemProp
• 2G. Waterfall Plots
• 4A. Creating Your Own Representation Class
• 4B. Creating Your Own Visualizations