Tag: GROMACS
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Run Molecular Dynamics Simulations in the Cloud as Fast as 1139 ns/day, as Cost-effective as $29/μs: Benchmarking GROMACS on Fovus
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GROMACS has revolutionized molecular dynamics (MD) simulations by empowering researchers to simulate molecular interactions across biology, chemistry, and materials science, driving advancements in protein folding, drug discovery, material design, and nanotechnology. However, running GROMACS on cloud GPUs presents significant scalability and cost challenges. GPUs are among the most in-demand resources in the cloud, making them difficult…