Senior or Principal Scientist – AI/ML

Background

Founded in 2009 and headquartered in Cambridge, UK, Optibrium develops software and novel Founded in 2009 and headquartered in Cambridge, UK, Optibrium develops software and novel technologies to improve the efficiency and productivity of drug discovery. Our solutions support industry-leading research for a global customer base, including top ten pharma and innovative biotech companies. Optibrium software solutions include 

• StarDrop™ – A complete package of fully integrated software for multi-objective small molecule design, optimisation, and data analysis; 

• Cerella™ – A unique platform for the imputation of drug discovery data, revealing insights into the best compounds and most valuable experiments; and 

• BioPharmics™ – A fast, robust, and accurate 3D ligand- and structure-based design platform that scales from small molecules to large macrocycles. 

With a strong track record of translating peer-reviewed science into successful products and a growing blue-chip customer base for StarDrop, Cerella, and BioPharmics, we are recruiting a Senior or Principal Scientist – Artificial Intelligence and Machine Learning to develop innovative new approaches in our software that help our customers achieve challenging drug discovery objectives. 

Main Priorities of the Role

• Design, develop, and improve the AI/ML algorithms underpinning predictive modelling, generative design and inference engine, including generative and probabilistic approaches to molecular design 
• Work closely with the Science and Engineering teams to translate research prototypes into robust, well-tested, production-quality algorithms integrated into Optibrium’s platforms 
• Develop and prototype AI and ML algorithms to enhance our product offerings 
• Design and interpret experiments and benchmarks to validate model performance 
• Communicate technical approaches and results clearly to internal cross-functional stakeholders and external audiences 
• Provide guidance on the development of our AI and ML capabilities 
• Contribute to peer-reviewed publications and conference presentations 

Experience 

The ideal candidate will have the following experience 

• PhD in Cheminformatics, Computational Sciences, Physics, Statistics, or a related discipline 

• Strong practical experience developing and deploying Machine Learning algorithms 

• A track record of applying rigorous, quantitative problem-solving to complex, ambiguous problems 

• Strong communication skills to explain complex technical concepts to non-specialist colleagues 

• Prior experience in drug discovery, cheminformatics, or computational chemistry 

• A track record of high-quality peer-reviewed publications and conference presentations 

Our Culture 

Optibrium is a science-led software company developing innovative technologies to improve drug discovery. We work closely with customers and collaborators across pharmaceutical, agrochemical, flavour, biotech, and academic organisations. We are an established, growing business with strong revenue, a positive cash position, and committed private equity investors, while retaining an entrepreneurial culture that encourages ideas from across the company. We value scientific curiosity, collaboration, practical impact, and clear communication. This is an opportunity to help shape the next generation of molecular design software for real-world discovery challenges using cutting-edge Artificial Intelligence algorithms.