Absstract of: US2025364082A1
Methods, systems, and apparatus, including computer programs encoded on a computer storage medium, for generating a predicted property score of a protein and a ligand. In one aspect, a method comprises: obtaining a network input that characterizes a protein and a ligand; processing the network input characterizing the protein and the ligand using an embedding neural network to generate a protein-ligand embedding representing the protein and the ligand, wherein the embedding neural network has been jointly trained with a generative model that is configured to: receive an input protein-ligand embedding; and generate, while conditioned on the input protein-ligand embedding, a predicted joint three-dimensional (3D) structure of an input protein and an input ligand represented by the input protein-ligand embedding; and generating a property score that defines a predicted property of the protein and the ligand using the protein-ligand embedding.
Nº publicación: US2025363328A1 27/11/2025
Applicant:
ROKU INC [US]
Roku, Inc
Absstract of: US2025363328A1
Aspects of the disclosed technology provide solutions for extracting subgraph patterns in graph-structured data and encoding them as embeddings using a graph neural network (GNN). In some aspects, a process of the disclosed technology can include steps for receiving an input graph comprising a plurality of nodes and edges, the input graph representing relationships among a plurality of entities, parameterizing a graph neural network model based on a set of pattern graphs, and identifying, for at least a portion of the nodes in the input graph, rooted homomorphisms between the pattern graphs and local subgraphs rooted at the respective nodes. Systems and machine-readable media are also provided.