A method and system for fast end-to-end learning on protein surfaces

Bruno Emanuel Ferreira De Sousa Correia, Pablo Gainza Cirauqui, Freyr Sverrisson
2022

Abstract

The present invention concerns a computer-system-implemented method for predicting properties of a protein molecule, comprising the steps of: receiving an input representation of the protein molecule; applying a surface generator to produce a molecular surface; applying at least one layer of geometric convolution on the molecular surface to produce a set of surface features; and using the set of features to predict the properties of the molecule.

Official source

https://infoscience.epfl.ch/entities/publication/8c5abce4-9a51-4358-8327-0efe7ecefde8

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