Table 3 Input features to the EGNN architecture

From: Geometric deep learning improves generalizability of MHC-bound peptide predictions

Feature and shape and type

Description

NODE FEATURES

res_type

[1], int

Index of node residue type.

pos

[3], float

The xyz coordinates of the residue C-alpha.

entity

[1], bool

Boolean indicating whether the node is the peptide (1) or the protein (0). Used during pooling to identify which residues outputs to sum together (i.e. the ones with entity=1, corresponding to the peptide).

EDGE FEATURES

same_chain

[1], bool

Boolean indicating whether the edge connects nodes belonging to the same chain (1) or separate chains (0).