Category: Industries

Quantum physics and high-performance computing have slashed research times for a consortium of researchers led by Qubit Pharmaceuticals. This post describes the discovery of chemical substances that may lead to new COVID-19 treatments in only six months using cloud technology.

We’re going to take you into the world of broadcast video, and explain how it led to us announcing today the general availability of EFA on smaller instance sizes. For a range of applications, this is going to save customers a lot of money because they no longer need to use the biggest instances in each instance family to get HPC-style network performance. But the story of how we got there involves our Elastic Fabric Adapter (EFA), some difficult problems presented to us by customers in the entertainment industry, and an invention called the Cloud Digital Interface (CDI). And it started not very far from Hollywood.

OMass Therapeutics, a biotechnology company identifying medicines against highly validated target ecosystems, used Yellowdog on AWS to analyze and screen 337 million compounds in 7 hours, a task which would have taken two months using an on-premises HPC cluster. YellowDog, based in Bristol in the UK, ran the drug discovery application on an extremely large, multi-region cluster in AWS with the AWS ‘pay-as-you-go’ pricing model. It provided a central, unified interface to monitor and manage AWS Region selection, compute provisioning, job allocation and execution. The entire workload completed in 65 minutes, enabling scientists to start work on analysis the same day, significantly accelerating the drug discovery process. In this post, we’ll discuss the AWS and YellowDog services we deployed, and the mechanisms used to scale to 3.2m vCPUs using multiple EC2 instance types across multiple regions in 33 minutes, running at a 95% utilization rate.

The Financial Services industry makes significant use of high performance computing (HPC) but it tends to be in the form of loosely coupled, embarrassingly parallel workloads to support risk modelling. The infrastructure tends to scale out to meet ever increasing demand as the analyses look at more and finer grained data. At AWS we’ve helped many customers tackle scaling challenges are noticing some common themes. In this post we describe how HPC teams are thinking about how they deliver compute capacity today, and highlight how we see the solutions converging for the future.

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.

Seismic imaging is the process of positioning the Earth’s subsurface reflectors. It transforms the seismic data recorded in time at the Earth’s surface to an image of the Earth’s subsurface. This is done by back-propagating data from time to space in a given velocity model. Kirchhoff depth migration is a well-known technique used in geophysics for seismic imaging. Kirchhoff time and depth migration produce an image with higher resolution and generate an image of the subsurface for a subset class of the data, providing valuable information about the petrophysical properties of the rocks and helps to determine how accurate the velocity model is. This blog post looks at the price-performance characteristics computing Kirchhoff migration methods on GPUs using Nvidia’s GPU-optimized code.

Molecular dynamics (MD) is a simulation method for analyzing the movement and tracing trajectories of atoms and molecules where the dynamics of a system evolve over time. MD simulations are used across various domains such as material sciences, biochemistry, biophysics and are typically used in two broad ways to study a system. The importance of […]