Computational Scientist

Our client are looking for a highly skilled Computational Scientist with data science and Machine Learning experience to join their drug discovery team.

This role is ideal for someone who thrives at the intersection of computational biology, chemistry, and high‑performance computing, and who enjoys working hands‑on across the full discovery pipeline.

• Applying advanced computational approaches across the drug discovery lifecycle
• Developing and deploying QSAR models and ADMET prediction workflows for small molecules
• Predicting and analysing structures and interactions of large biomolecules (e.g. proteins, RNAs)
• Driving biomolecule optimisation and de novo design
• Leveraging GPU computing (CUDA) and high‑performance computing to scale complex simulations
• Collaborating closely with multidisciplinary discovery teams to translate models into impact

• Strong familiarity with the life sciences sector and the drug discovery process
• Background in computational biology and/or computational chemistry
• Hands‑on experience in:
  • Small‑molecule QSAR modelling and ADMET prediction
  • Structural prediction and interaction modelling of large biomolecules
  • CUDA and high‑performance computing environments
• Proficiency in Python and R
• A practical, problem‑solving mindset with a passion for scientific innovation