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A Easy to Use Generalized Template to Support Development of GPU Algorithms

Saeed, Fahad; Haseeb, Muhammad; , Springer High-Performance Algorithms for Mass Spectrometry-Based Omics :77-87 (2022).

Abstract

Computational techniques have taken a new meaning for scientific inquiry in biology especially after the introduction of high-throughput experimental techniques. These instruments can produce massive amounts of data that needs to be processed in a scalable fashion to ensure that we can make sense of these data sets from various sources [, ]. As expected, Mass Spectrometry (MS) based omics is essential for precision medicine, cancer research, and drug discovery but the scale at which these data sets need to be processed are massive (tera- to peta-byte levels) [, –]. We have also shown that proteomics, and meta-proteomics search can be taken impractically long times [, ]. which can become a major technical hurdle in investigating these systems biology studies. The existing serial algorithms scale very poorly with increasing size of the data sets, and HPC methods are also shown to be much less than optimal [, ].