Batch Utility: Atom Masks

Functions for creating masks that discern between padding and actual values.

tad_mctc.batch.mask.atoms.real_atoms(numbers)

Create a mask for atoms, discerning padding and actual atoms. Padding value is zero.

Parameters:

numbers (Tensor) – Atomic numbers for all atoms.

Returns:

Mask for atoms that discerns padding and real atoms.

Return type:

Tensor