SparkleDock accelerates LightDock's glowworm-swarm flexible docking by rewriting energy scoring as tensor-core matrix operations, achieving 9.7x to 18.9x single-GPU speedups and strong scaling to 512 GPUs.
Structure-based cross-docking analysis of antibody–antigen interactions,
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Scalable High-Fidelity Macromolecular Docking for GPU-Accelerated Supercomputers
SparkleDock accelerates LightDock's glowworm-swarm flexible docking by rewriting energy scoring as tensor-core matrix operations, achieving 9.7x to 18.9x single-GPU speedups and strong scaling to 512 GPUs.