Scientists can now connect company-approved AI providers such as Claude Code and GitHub Copilot directly to Flare, helping teams set up, execute, and analyze complex computational chemistry workflows in minutes not hours.
CAMBRIDGE, UK, 6 October 2026
Drug discovery teams are under pressure to evaluate more molecules, deliver results faster and achieve more with the resources they already have. AI can help, but scientists do not want another standalone agent to learn, validate and govern. They need a practical way to use the AI tools they already trust within the scientific workflows they rely on every day.
The Flare AI Client is Cresset’s answer to that challenge.
Released as part of Flare™ V13, Cresset’s platform for molecular design, modeling and analysis, the Flare AI Client enables researchers to use their preferred AI provider such as Claude Code or GitHub Copilot directly within Flare. Scientists can automate workflows and analyze results using the AI tools they already trust, helping turn hours spent operating software into minutes of scientific review.
Dr Tim Cheeseright, CEO of Cresset, commented:
“The promise of AI in drug discovery is not that it replaces scientists. It’s that it removes friction from the work scientists do every day. Whether that’s exploring chemical space, generating new molecular ideas or completing routine modeling workflows, our goal is simple: help discovery chemists spend less time operating software and more time making scientific decisions. Chemists don’t need another provider. They need their time back.”
While AI tools are becoming increasingly common across research organisations, many scientific teams struggle to integrate them into regulated research environments and established molecule discovery workflows. Researchers often move information between multiple applications, manually configure calculations and repeatedly perform routine tasks that add little scientific value.
The Flare AI Client addresses this challenge by enabling AI assistants to interact directly with Flare’s molecular design, modeling and analysis capabilities. Using natural language, scientists can set up and execute modeling workflows, explore molecular datasets, generate bespoke analysis scripts and automate routine reporting and data-processing tasks without leaving the platform.
Unlike standalone scientific AI agents, the Flare AI Client allows organisations to connect their existing approved AI assistants directly to Flare’s computational chemistry capabilities.
“Scientists already have company-approved AI tools. Rather than asking them to adopt and govern another AI platform, we wanted to make those tools useful within new and existing molecular modeling workflows. The goal isn’t more AI. It’s helping scientists get more value from the software and data they already use,” said Dr Tim Cheeseright, CEO of Cresset.
Activities that previously required multiple manual steps can now be initiated and managed through natural language interactions, making advanced computational chemistry methods more accessible to more scientists. By reducing the effort required to run computational chemistry workflows, the Flare AI Client enables scientists to focus on making better discovery decisions.
The Flare AI Client is available now as part of Flare V13.
About Flare™
Flare™ is Cresset’s platform for molecular design, modeling and analysis. Used by scientists across industry and academia, Flare brings together molecular modeling, structure-based design, ligand-based design, predictive analytics and visualization in a single environment to support molecule discovery decision-making. Flare helps researchers explore chemical space, understand structure-activity relationships and accelerate the identification and optimisation of promising compounds.
For more information, visit cresset-group.com/flare.
About Cresset®
Cresset develops solutions that help scientists discover and design better drugs faster. For more than 25 years, Cresset’s technology has supported researchers in understanding molecular interactions, predicting compound behaviour and making informed discovery decisions. Cresset’s solutions are used by pharmaceutical, biotechnology, agrochemical and academic organisations worldwide to advance research from early discovery through lead optimization.
Headquartered in Cambridge, UK, Cresset serves customers across North America, Europe and Asia-Pacific.
For more information, visit cresset-group.com.
