Case Study: a life sciences company achieves cost-effective, high-performance molecular docking with Quantori's AWS HPC Platform

Develop an AWS HPC Platform for Molecular Docking

A life sciences company sought to reduce compute costs and improve application output for its molecular docking platform built on ARM architecture with EC2 Spot Instances. The challenge was to rapidly develop a high-performance computing (HPC) environment to meet these needs. Quantori was tasked with creating this solution using AWS ParallelCluster.

Quantori implemented an infrastructure accelerator for macromolecular docking that enabled scientists to work within research environments using tools like AutoDock and Jupyter Notebooks. The powerful platform can scale from a few thousand to millions of ligands without reconfiguration. As a result, the life sciences company gained a highly performant and cost-effective system for running its docking computations.