Bronstein, MichaelSverrisson, FreyrPierre Feydy, JeanGainza, PabloFerreira De Sousa Correia, Bruno2022-08-022022-08-022022-08-022022https://infoscience.epfl.ch/handle/20.500.14299/189742The 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.patentWO202215247880780837