API Reference

Auto-generated reference documentation for the augernet Python package.

Module	Description
CLI	Command-line entry point (augernet.__main__)
Config	YAML config loading and AugerNetConfig dataclass
Training	Mode dispatch, CV loop, param search
Features	Node feature selection and assembly
Model	MPNN architecture and training loop
Graphs	Molecular graph construction from XYZ files
Evaluation	Evaluation metrics and diagnostic plots