Computer-aided drug discovery (CADD) has been a key player in lowering the cost and speeding up the timeline for drug development. CADD uses high performance computing (HPC) resources to virtually screen databases with billions of …
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Running HPC workloads, like computational fluid dynamics (CFD), molecular dynamics, or weather forecasting typically involves a lot of moving parts. You need a hundreds or thousands of compute cores, a job scheduler for keeping them fed, a …
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This post was written by Swapnil Bhatkar, Cloud Engineer, NREL in collaboration with Edward Eng Ph.D. and Micah Rapp Ph.D, both SEMC/NYSBC, and Evan Bollig Ph.D. and Aniket Deshpande, both AWS. Introduction Cryo-electron microscopy …
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Today, more than 290,000 researchers in France are working to provide better support and care for patients through modern medical treatment. To fulfill their mission, these researchers must be equipped with powerful tools. At AWS, we …
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Molecular dynamics (MD) is a simulation method for analyzing the movement and tracing trajectories of atoms and molecules where the dynamics of a system evolve over time. MD simulations are used across various domains such as material …
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