two_electron_dataset

class TwoElectronDataset(raw_data_dir: str, kohn_sham_data_dir: str, label_dir: str, filename: str, name: str, num_processes: int = 1)

Class for the two-electron dataset.

__init__(raw_data_dir: str, kohn_sham_data_dir: str, label_dir: str, filename: str, name: str, num_processes: int = 1)

Define molecules and initialize using parent class.