enerzyme.data.transform

Functions

load_atomic_energy(atomic_energy_path)
parse_Za(atom_types)

Classes

AtomicEnergyTransform(atomic_energy_path[, ...])
BaseTransform(major_key, *args, **kwargs)
NegativeGradientTransform(*args, **kwargs)
TotalEnergyNormalization([preload_path, ...])
Transform([transform_args, preload_path, ...])