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A matrix is a collection of numbers arranged into a fixed number of rows and columns.
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Plot a matrix as a single point in space
the node (atom) from which the edge (bond) starts, and the second one the node where the edge arrives;
node feature matrix (X), an nx9 matrix, where n are the atoms of the molecule and 9 are the features … used to describe these (e.g. atomic number, charge, hybridization);
edge feature matrix (E), an 4xe matrix, where e are the bonds of the molecule and 4 are the features used to describe these (e.g. type …