Develop an AWS HPC Platform for Molecular Docking
Case studies

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.

HPC

AWS

GCP

Article Clasterization Tool to Improve the Bibliography Search

Quantori Team built a high-performance bibliographic tool using the optimized datasets provided by the customer.

GCP

Calculation of 15,000 Human Genomes using GCP

To support the project, Quantori Team introduced the GCP infrastructure and the Terra Baer portal environment.

HPC

Seamlessly Integrate AWS HPC Platform for Cell Image Analysis

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

Work space with laptop and Quantori merch

Data Science

Design, Implement and Support Life Science IT Infrastructure, Oligo Design and Ordering

Quantori team built a back-end service as a sophisticated bioinformatic constructor for reaction components and chemical conditions to control PCR and qPCR.