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