Reference This contains details of the Python API as well as a reference to the command line interface. OpenADMET Models API Reference Active Learning Acquisition Functions Query and Prediction by Committee Ensemble Base Classes Anvil AutoML Workflows Anvil Workflows Anvil Workflow Specifications Workflow Base Classes Molecule Featurization ChemProp Feature Combiner Molecule Fingerprints Molecular Descriptors Feature Base Classes Splitting Strategies scikit-learn Splitting Strategies Data-Driven Splitting Strategies Machine Learning Model Architectures CatBoost ChemProp Dummy Models LGBMs Base Model Classes Random Forests Support Vector Machines (SVM) TabPFN XGBoost Model Training scikit-learn Training PyTorch Lightning Training Base Classes for Model Training Model Evaluation Binary Evaluation Metrics Classification Metrics Cross Validation Evaluation Base Classes Regression Metrics Uncertainty Metrics Utility Functions Inference Inference Using Models Trained with Anvil Between Model Comparisons Posthoc Model Comparisons Comparison Base Classes OpenADMET Models CLI Reference Anvil CLI Guide Usage Options Description Example Workflow Run Exit Codes Notes Predict CLI Guide Usage Options Description Example Workflow Run Example: Predict from an SDF File Exit Codes Notes Compare CLI Guide Usage Options Description Example Workflow Run Exit Codes Notes