One important problem within molecular structural biology is the need to quickly and robustly extract meaningful information about the concerted motion between different regions of a biomolecule, or as an effect of other molecules, from the large quantities of data generated within simulation trajectories detailing atomic motion. For instance, allostery occurs when a binding event or conformational change at one part of a protein causes a meaningful structural change at another part of the protein -this can be quantified by analyzing the correlated motion between the different parts of the protein, signifying the strength of their relationship. Many alternative approaches have been developed to solve this problem. For instance, such studies have focused on the communication of allosteric information between any two residues in a protein . Among them, metrics that make use of mutual information (MI), and its extension, generalized correlation (GC), stand out for their ability to handle nonlinear relationships. A number of tools exist which can peform MI or GC for the analysis of biomolecular motion, some of the most prominent being Dynetan , and MDiGest . However, these packages only utilize CPU implementations of the MI estimation algorithm.