Quantori is proud to be an Exhibitor at Lab of the Future Europe on October 4‑5
Background image

High Performance Computing
Case studies

Develop an AWS HPC Platform for Molecular Docking

Challenge

A life sciences company was operating a platform built on ARM architecture with EC2 Spot Instances to reduce the compute costs and improve the application output. Quantori’s challenge was to rapidly develop HPC (High-Performance Computing) compute environments using AWS ParallelCluster, an open-source cluster management tool.

Solution

Quantori implemented a breakthrough HPC infrastructure accelerator for macromolecular docking of tertiary and quaternary proteins, which enabled scientists to work exclusively within their research environments with AWS ParrallelCluster, Jupyter Notebooks, complators and docking tools including AutoDock, Smina, and QVina. This powerful platform can scale from small runs with a few thousand ligands, up to millions without reconfiguration.

Outcome

The life sciences company gained a cost-effective and highly performant system for running docking computations.

Seamlessly Integrate AWS HPC Platform for Cell Image Analysis

Challenge

A U.S. genomics company working with cellular structure analysis asked Quantori to help them seamlessly shift all of their computations to the cloud due to a lack of sufficient onsite resources.

Solution

We introduced our HPC (High Performance Computing) platform, optimized the client’s applications for AWS hardware, and migrated the on-premise pipelines to AWS.

Outcome

The HPC approach provided support for any type of instances and made the image analysis scalable and more efficient. The scientists are able to operate without knowledge of AWS or CLI/Web interfaces and enabling them to cost-effectively process hundreds of public datasets in real-time, instead of weeks.