terminator.models.layers.graph_features

Backbone featurization modules

This file contains modules which featurize the protein backbone graph via its backbone coordinates. Adapted from https://github.com/jingraham/neurips19-graph-protein-design

Classes

IndexDiffEncoding(num_embeddings)

Module to generate differential positional encodings for multichain protein graph edges

MultiChainProteinFeatures(edge_features, ...)

Protein backbone featurization which accounts for differences between inter-chain and intra-chain interactions.

PositionalEncodings(num_embeddings)

Module to generate differential positional encodings for protein graph edges

ProteinFeatures(edge_features, node_features)

Protein backbone featurization based on Ingraham et al NeurIPS