Performance Portability of Molecular Docking Miniapp On Leadership Computing Platforms - researchr publication related

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Mathialakan Thavappiragasam, Aaron Scheinberg, Wael R. Elwasif, Oscar R. Hernandez, Ada Sedova. Performance Portability of Molecular Docking Miniapp On Leadership Computing Platforms. In 2020 IEEE/ACM International Workshop on Performance, Portability and Productivity in HPC, P3HPC@SC 2020, Atlanta, GA, USA, November 13, 2020. pages 36-44, IEEE, 2020. [doi]

The following publications are possibly variants of this publication:

Portability for GPU-accelerated molecular docking applications for cloud and HPC: can portable compiler directives provide performance across all platforms?Mathialakan Thavappiragasam, Wael R. Elwasif, Ada Sedova. ccgrid 2022: 975-984 [doi]

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