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Achieving Efficient Fragment Screening at XChem Facility at Diamond Light Source
Published on: May 29, 2021
Paul Cardosi1,2,3, Bérenger Bramas1,2,3
1ICPS Team, ICube, Illkirch, France.
Specx is a new task-based runtime system for efficient parallelization across CPUs and GPUs. It enables elegant, hardware-independent algorithm descriptions for high-performance computing.
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