AWS HPC Blog

Tag: Drug Discovery

Best practices for running molecular dynamics simulations on AWS Graviton3E

Best practices for running molecular dynamics simulations on AWS Graviton3E

If you run molecular dynamics simulations, you need to read this. We walk through running benchmarks of popular apps like GROMACS and LAMMPS on new Hpc7g instances and Graviton3E processors. The results – up to 35% better vector performance versus Graviton3! Learn how to optimize your own workflows.

Accelerate Drug Discovery with NVIDIA BioNeMo Framework on Amazon EKS

Accelerate drug discovery with NVIDIA BioNeMo Framework on Amazon EKS

This post was contributed by Doruk Ozturk and Ankur Srivastava at AWS, and Neel Patel at NVIDIA. Introduction Drug discovery is a long and expensive process. Pharmaceutical companies must sift through thousands of compound possibilities to find potential new drugs to treat diseases. This process takes multiple years and costs billions of dollars, with the […]