What you will do

Design, develop, and maintain production-ready software tools and frameworks for efficient enzyme design and analysis.

Work closely with research scientists to transform innovative algorithms and generative models into robust, scalable software solutions.

Contribute to developing AI/ML models for protein structure and enzyme function prediction, as well as reaction optimisation.

Implement and maintain data pipelines for processing and analysing large-scale biological and chemical datasets.

Collaborate with the computational platform team to deploy and scale our computational tools in cloud environments.

Maintain high code quality, optimise performance, and ensure reproducibility through comprehensive testing, thorough documentation, and robust version control practices.

What you will bring

Advanced degree in a relevant scientific discipline such as physics, chemistry, biochemistry, or applied mathematics, providing strong domain knowledge, numerical skills, and computational expertise.

Extensive knowledge in one or more fields: structural bioinformatics, cheminformatics, AI/ML, computational chemistry, or molecular dynamics.

Advanced software engineering skills, including expertise in version control systems (e.g., Git), automated testing frameworks, and CI/CD pipelines, coupled with a genuine passion for delivering high-quality, scalable technical solutions.

Strong proficiency in Python, with extensive experience in scientific computing libraries (e.g., NumPy, SciPy, Polars) and a proven track record of implementing advanced algorithms and complex computational workflows.

Familiarity with cloud computing platforms (e.g., AWS, GCP), containerisation technologies (e.g., Docker), and scalable workflow orchestration tools.

Nice to have

Experience with machine learning frameworks (e.g., PyTorch, TensorFlow) and their application to biological problems.

Experience with high-performance computing environments and parallel processing.

Contributions to open-source scientific software projects.

GCS is acting as an Employment Agency in relation to this vacancy