AWS Pioneers Project

Qubit Pharmaceuticals has developed innovative tools and methodologies to accelerate drug discovery. Central to this approach is the creation of highly accurate digital twins of pathology-inducing targets. These digital twins allow researchers to conduct the entire drug discovery process in silico—using computer simulations rather than traditional laboratory experiments. Computing power requirements for these technologies are important, and using AWS has allowed them to unlock new possibilities.

“From there, molecules can be designed and tested against these targets to evaluate their potential in altering the progression of diseases,” Pierfitte explains.

The result is Atlas, a cutting-edge platform, run on AWS, which supports seven active drug discovery projects, primarily focused on oncology and inflammation.

Among these projects, two focus on RNA (Ribonucleic Acid), a critical yet complex target for therapeutic intervention. “I once heard someone describe RNA as being like spaghetti—it’s very dynamic and constantly moving,” shares Pierfitte. “This analogy stuck with me because it captures the challenge of modeling its intricate behavior and interactions.”

Leveraging quantum chemistry, Qubit Pharmaceuticals models the behavior of individual electrons over time, creating detailed 3D representations of RNA dynamics. This precision enables the design of small molecules that can effectively target RNA, unlocking immense therapeutic potential.

Small molecules, which are easy to manufacture and can be administered as pills, represent a promising treatment option for these complex targets. “If we find treatments that work on these targets and are easy to produce, we can make a significant difference for patients,” says Pierfitte. “Because our discovery platform, ATLAS, can work on any of these targets, the possibilities will one day be endless.”

Working with AWS has provided Qubit Pharmaceuticals with numerous advantages. “It allows us to collaborate with different companies that also use AWS, stay geographically flexible, and scale our capacity to meet peaks in demand,” says Pierfitte.

AWS has also supported the company’s research partners financially, recently awarding a $1 million grant to the academic lab of one of Qubit Pharmaceuticals' founders at Sorbonne Université, Professor Jean-Philip Piquemal. This grant facilitated the largest molecular simulation to date using polarizable force fields, providing critical insights into how viruses evade the immune system.

“AWS has truly supported the foundational research that enables us to push the boundaries of drug discovery,” says Pierfitte.

While quantum computing is still in its early stages, Qubit Pharmaceuticals has already begun integrating it into its workflow. The company started testing quantum models on high-performance computers six years ago and is now exploring quantum algorithms using quantum computers through AWS cloud.

“Let’s keep improving what we do on classical computing, mastering it, and then integrate emerging technologies like quantum computing and neural networks to further accelerate our processes,” says Pierfitte.

AI also holds promise for transforming healthcare, but Pierfitte remains pragmatic about its potential. “Healthcare is complex, with many regulatory and ethical concerns. The journey from understanding a disease to delivering an effective treatment involves extensive research and testing to ensure any new therapy surpasses existing options and reaches patients safely.”

Despite the challenges, Qubit Pharmaceuticals is optimistic about the future. “By unlocking the therapeutic potential of complex targets, our technologies will broaden the path to innovative treatments that could benefit millions worldwide,” says Pierfitte.

Looking ahead, the company plans to continue scaling its quantum algorithms, enhancing computational platforms, and exploring new frontiers with AWS. “We’re not just developing drugs faster; we’re creating hope for more effective and accessible therapies,” concludes Pierfitte.