Together with NVIDIA, US company launches QSaaS for pharmaceutical, chemical and materials discovery
Today, QC Ware announced Promethium - a modern Software-as-a-Service (SaaS) quantum chemistry platform designed to dramatically accelerate pharmaceutical, chemical and materials discovery - with services available to users on Amazon's cloud platform, AWS Marketplace.
AWS related link:
https://aws.amazon.com/marketplace/pp/prodview-tyzdk5juffetu?sr=0-1&ref_=beagle&applicationId=AWSMPContessa
The Promethium platform offers a range of capabilities that can help companies overcome a variety of challenges in the drug and material discovery process. For example, understanding how chemical reactions work, studying the binding of drugs to proteins, and learning how materials interact with their environment.
This intuitive SaaS platform is built for pharmaceutical, organic, inorganic, analytical and process chemists working across the entire spectrum of industrial chemistry. In addition, the platform is designed to meet the needs of both chemists without extensive training in computational chemistry and advanced computational chemists, making it accessible to a wide range of users.
Drug discovery requires billions of DFT calculations
At the launch event, QC Ware CEO Matt Johnson said, "Promethium's exceptional speed, accuracy and system scale capabilities are transformative, delivering significant improvements in both throughput and accuracy. This platform has the potential to seismically transform the pharmaceutical world by enabling companies to discover and launch new drugs faster than ever before."
The technology at the heart of this SaaS platform is an advanced quantum chemistry toolset specifically designed to harness the power of flagship NVIDIA GPUs such as the H100 or A100 Tensor Core.
Promethium is built from the ground up using proprietary algorithms that provide significantly more accurate predictions than simpler force field or coarse-grained models. Thanks to these advanced capabilities, the Promethium toolset can perform calculations on different chemical systems with about 100 atoms in seconds, compared to minutes or hours on traditional codes. For large systems with about 2000 atoms, which can currently take days or weeks to simulate with other commercial platforms, Promethium can provide results in a few hours.
Currently running on Amazon Web Services (AWS), Promethium combines the superior speed of optimized quantum chemistry with the scalability offered by cloud computing.
This means that when a Promethium user runs a simulation batch involving a single molecule or multiple molecules, the program automatically allocates tasks across a network of computational resources. This allows users without specialized technical knowledge to obtain high-quality results similar to those obtained from supercomputers, all within the user-friendly Promethium SaaS environment.
Robert Parrish, senior vice president of quantum chemistry at QC Ware, said, "We think Promethium may have realized a long-held dream for quantum chemistry: from the early days of quantum mechanics, we knew that these equations governed chemistry precisely, but the calculations involved were difficult to solve routinely; now, QC Ware implements these methods through new GPU algorithms and makes this power accessible to any chemist through SaaS deployment - we may have reached the stage where quantum technology can be used to solve industrial chemical design problems."
About QC Ware
QC Ware is a quantum and classical computing software and services company focused on delivering enterprise value through cutting-edge computing technologies, with a focus on machine learning and chemical simulation applications.QC Ware's team consists of some of the industry's foremost experts in quantum, classical computing. In addition, QC Ware organizes the Q2B Conference - a global conference series for the quantum computing community of industry, practitioners and academia.
Reference links:
[1] https://www.promethium.qcware.com/
[2]https://www.reuters.com/technology/waiting-quantum-computers-arrive-software-engineers-get-creative-2023-04-17/
