AWS HPC Blog

Category: AWS Partner Network

Benchmarking the NVIDIA Clara Parabricks germline pipeline on AWS

This blog provides an overview of NVIDIA’s Clara Parabricks along with a guide on how to use Parabricks within the AWS Marketplace. It focuses on germline analysis for whole genome and whole exome applications using GPU accelerated bwa-mem and GATK’s HaplotypeCaller.

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Virtual Screening of Novel Active Drug Compounds on AWS with Orion®

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 molecules. It can speed up the searching of potential drug molecules, and filter out molecules and compounds that are unsuitable. OpenEye Scientific developed Orion®, a cloud-based molecular design platform for CADD. Orion provides computational chemists with virtually unlimited HPC resources. These include data visualization, collaboration, and workflow management tools that help them perform calculations more efficiently. In this post, we describe the Orion architecture on AWS, and it’s capabilities to address the challenges in drug development.

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