Better molecules, by design
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Cresset helps discovery teams generate smarter ideas, make stronger decisions, and design better molecules. Our AI-enriched simulation science solutions bring computational and medicinal chemists together to streamline discovery from target validation to candidate selection.
Robust science with results you can rely on
Accelerate Lead Optimisation with Active Learning FEP
saving compute time needed to generate FEP results
> 0 %
increased success rate by nearly
0 x
Robust science with results you can rely on
Accelerate Lead Optimisation with Active Learning FEP
saving compute time needed to generate FEP results
>80%
increased success rate by nearly
2.5x
Novel molecule generation
ligand designs generated in Spark
0
selected for synthesis Activity: 2nM to 2.4µM
0
candidate series for development
1
Digital molecular discovery solutions enriched by AI
Your trusted partner for digital molecular discovery
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Trusted by the scientific community
News & Events
Join us on 11 November for an in-depth look at the latest innovations in Flare™ V13 featuring AI-driven molecular design, advanced 3D similarity technology, and enhanced FEP calculations - enabling researchers to make smarter design decisions earlier in the drug discovery process.
Join us on 4 November as we explore computational strategies for accelerating degrader design using the STAT5 and CRBN-targeting ligand, AK2292 as a case study. You will gain insight into how large-scale chemical databases can be leveraged to access innovative linker chemotypes, and how the combination of computational degrader design and commercially accessible chemistry can streamline the discovery of next-generation protein degraders.
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.
Flare V13 is here, bringing a powerful new set of AI tools to the platform plus enhancements to Relative FEP.
Cresset Discovery has delivered a highly efficient digital workflow combining their molecular modeling expertise with Cresset technology to accelerate discovery, design and optimization of a METTL3 inhibitor.
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