55 citations · 59 across the 7 of their papers we have counts for
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cs.DC2022
Portability for GPU-accelerated molecular docking applications for cloud and HPC: can portable compiler directives provide performance across all platforms?
Mathialakan Thavappiragasam, Wael Elwasif, Ada Sedova
High-throughput structure-based screening of drug-like molecules has become a common tool in biomedical research. Recently, acceleration with graphics processing units (GPUs) has p…
q-bio.QM2022★ 2 cited
Proteome-scale Deployment of Protein Structure Prediction Workflows on the Summit Supercomputer
Mu Gao, Mark Coletti, Russell B. Davidson +4
Deep learning has contributed to major advances in the prediction of protein structure from sequence, a fundamental problem in structural bioinformatics. With predictions now appro…