QC Ware, makers of Promethium, a quantum-inspired, molecular discovery platform, announced today it is leveraging NVIDIA Quantum Cloud to accelerate drug discovery by providing AI platforms with the ability to generate highly accurate training data on large, complex molecules faster than ever before, aiming to redefine the landscape of in silico molecular simulation. These are critical problems that will be accelerated by future quantum computers, but today are best solved by advanced methods on GPUs. This will enable molecular AI platforms to train better ML models, ultimately helping pharmaceutical companies find quality drug candidates more quickly.
NVIDIA Quantum Cloud is a microservice that lets users for the first time build and test in the cloud new quantum algorithms and applications, including powerful simulators and tools for hybrid quantum-classical programming.
“Promethium is helping steer the future of drug discovery and this latest work with NVIDIA signifies our commitment to advancing pharmaceutical research and underscores the importance of technological innovation in the quest for groundbreaking solutions to some of the most challenging medicinal problems of modern times,” said Paul Baines, VP of Product & Engineering, at QC Ware.
ML models are already playing a large role in drug discovery, accelerating the ability to find new and promising candidates for clinical trials over historical methods. With an abundance of these ML models coming into play, one of the main challenges that research leaders face is determining the quality of the models they are using. Typically, the best ML models are trained on the best data. This has created a need for large amounts of extremely high-quality data.
The molecular data that currently exists is limited in scale, scope, and application. To build the best general-purpose ML model, or to customize an ML model for a specific purpose, lots of data must be generated — and fast. Promethium is on a journey to generate the highest-quality data faster than it’s ever been done. AI platforms for drug discovery are already taking advantage of these benefits. One example is a venture-backed start-up using Promethium to create highly accurate data, very quickly, and at scale.
“For representative systems we currently run today, Promethium is 30 times faster than our current toolsets,” says the startup’s CTO. “This means that we can generate high-quality training data faster, leading to extremely accurate ML models for researchers to use. The result? Truly transformative ML models that will unlock massive amounts of value for pharmaceutical companies.”
SOURCE: PRNewswire