Ornate is a residue-wise scoring method. It first constructs a three dimensional map representing the structure of the residue, and its neighborhood.
This representation is used as input of a deep neural network to predict the score of this residue
Here, we provide an SVD decomposition of the retyper matrix. Each atom type is associated with a 15 dimensional feature vector. The components are ordered by importance, one can use all of them or only the N first components of each atom type. type_svd
Guillaume Pagès1 , Benoit Charmettant1,2& Sergei Grudinin1,1Nano-D team, Inria/CNRS Grenoble, France 2Ecole CentraleSupélec e-mail: Sergei.Grudinin @ inria.fr
Protein model quality assessment using 3D oriented convolutional neural networks. Guillaume Pagès, Benoit Charmettant, Sergei Grudinin. Bioinformatics, btz122, ⟨10.1093/bioinformatics/btz122⟩
What does deep learning see in 3D protein structures? Guillaume Pagès, Benoit Charmettant, Sergei Grudinin. Submitted.
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