graph#
Graph utilities for the PrxteinMPNN model.
prxteinmpnn.utils.graph
- prxteinmpnn.utils.graph.compute_neighbor_offsets(residue_indices, neighbor_indices)[source]#
Compute offsets between residues for neighbor indices.
- Parameters:
residue_indices (
Int[Array, 'num_residues num_atoms']) – Residue indices for each atom.neighbor_indices (
Int[Array, 'num_atoms num_neighbors']) – Indices of neighboring atoms.
- Return type:
Array- Returns:
A 2D array of offsets where each row corresponds to a residue and each column corresponds to a neighbor. The values represent the difference in residue indices.