Get the right molecule into development, faster.
Powered by Science
We’re leaders in molecular simulation software – backed by over 20 years of computational innovation in modeling of electrostatics, scaffold-hopping, and ligand-based design.
Enriched by AI
Grounded in on our science, Cresset is embracing the focused use of AI technologies throughout our software portfolio for even greater insight, usability, and speed.
Trusted by You
We partner with our customers to connect data, tools, and teams, creating digital solutions that accelerate R&D from target identification to candidate.
Our Vision
Creating a healthier world by inspiring innovation through digital molecular discovery
- Cresset empowers R&D teams by integrating the rigor of physics-based simulation with transformative AI.
- Our customers find the molecule that matters, faster.
Our Mission
To be your preferred partner for accelerating molecular discovery by combining physics-based simulation, AI, and proven expertise
- Founded on our scientific pedigree and expertise
- Building collaborative relationships based on trust
- Best-in-class software solutions from target validation to candidate selection
Our Values
Our values shape how we work together, make decisions, and deliver on our mission to create a healthier world
- Integrity – Acting with honesty and upholding the highest standards.
- Excellence – Striving for world-class science, software, and talent.
- Collaboration – Partnering with colleagues and customers to create a healthier world.
The Cresset Story
Cresset was founded by Dr Andy Vinter in 2002, drawing on his ground-breaking research comparing molecules in terms of their electrostatic potentials. As we developed close relationships with leaders in pharmaceutical, biotechnology, and agrochemical research, we found requirements for new physics-based software methods throughout the process from target validation to compound selection. Examples include electrostatic visualization and scaffold hopping – areas in which Cresset was first to innovate, and where we retain technology leadership.
1994
Pioneering XED force field work published.
2002
Cresset Founded by Dr Andy Vinter
2003
Range of Ligand-based software solutions
2006
Published paper on field points as extrema of electrostatic, steric and hydrophobic fields
2009
Launched bioisostere searching software solution
2012
Launched next generation chemistry software solutions. Established professional services division
2019
Launched new technology: Electrostatic Complementarity
2020
Published on the advantage of Flare FEP
2022
Launched Ignite a new technology for rapid virtual screening
2024
First presented active learning FEP workflow for prioritising bioisoteres
2025
Empowering researches with Ai-driven insights and tools
2026
Leading digital transformation of chemistry workflows
Our Future...
As we worked in close partnership with our customers over many years, we have grown a computer-aided molecular discovery team with unrivalled domain and project experience. This gives Cresset a sharp focus on delivering software that is targeted to achieve key discovery outcomes with oustanding usability. One example is our collaborative platform that connects data, tools, and teams to accelerate R&D. Our focus on enriching our solutions with AI is a continuation of a Cresset tradition – identifying emerging technologies that can meet specific customers needs and applying them in smart new ways.