create_atom_label_report
- openff.nagl.training.reporting.create_atom_label_report(molecules: List[Molecule], predicted_labels: List[Tensor], reference_labels: List[Tensor], metrics: List[MetricType], rank_by: MetricType, output_path: Path, top_n_entries: int = 100, bottom_n_entries: int = 100, highlight_outliers: bool = False, outlier_threshold: float = 1.0)[source]