ML Research Engineer at Isomorphic Labs (London)
Job Description
Isomorphic Labs is hiring machine learning research engineers in London, at levels from mid-level to principal, to build and optimise the AI models behind its drug design engine, working alongside scientists on computational biology and chemistry problems.
At a glance
- Role: Research Engineer (Machine Learning)
- Where: London, United Kingdom
- Levels: Mid-level through senior, staff, principal or equivalent
- Level of study: Master’s or PhD in a quantitative field, or equivalent experience
- Apply: open until filled (re-checked 12 October 2026)
About the ML research engineer role
- Turn research ideas into practical implementations: develop and optimise state-of-the-art AI models and maintain robust codebases, data pipelines and training and evaluation infrastructure
- Design and run experiments to evaluate the performance and robustness of models, including collecting and preparing data
- Optimise models such as diffusion models, transformers and graph neural networks using a deep understanding of the ML hardware and software stack
- Advise on bringing models to production, and build specialised tools and frameworks
- Work closely with research scientists and engineers, including through code review
Isomorphic’s drug design engine combines AI models that predict how molecules and proteins interact with models that generate new candidate molecules. Engineering and research roles there sit close to real drug discovery programmes, so model quality and speed translate directly into scientific decisions.
What Isomorphic Labs is looking for
- An advanced degree (Master’s or PhD) in a highly quantitative field such as computer science, AI, physics or mathematics, or equivalent practical experience
- A deep understanding of machine learning principles and strong proficiency in JAX or PyTorch
- Hands-on experience with modern architectures such as transformers, GNNs and diffusion models
- Experience taking models from conception to production: scoping, data analysis, training, debugging, evaluation, benchmarking and deployment
- Excellent software engineering with strong algorithms and data structures, and strong communication
Pay and location
Isomorphic Labs’ posting does not state a salary. The role is based in London.
How to apply
Apply through the official Isomorphic Labs job posting. Isomorphic Labs’s posting does not give a closing date, so the role is open until filled; ResearchJobs.in will re-check this listing on 12 October 2026. Check the posting for location and work-authorisation details before you apply.
See all our artificial intelligence jobs, or browse more research jobs on ResearchJobs.in.
Hiring institution: Isomorphic Labs
Official advertisement: job-boards.greenhouse.io
How to prepare for this application
- AlphaFold context: understand, at a high level, how structure prediction and co-folding models work.
- Model engineering: be ready to discuss profiling and speeding up training of a transformer or diffusion model.
- Evaluation: think about how you would benchmark a model whose outputs are molecules or protein structures.
- Coding interviews: expect algorithms and data-structure questions alongside ML design.
- Domain curiosity: read a little about the drug discovery pipeline from target to candidate.
About Isomorphic Labs
Isomorphic Labs was launched in 2021 to advance human health by building on and beyond the Nobel-winning AlphaFold system. Its interdisciplinary team of drug discovery experts and machine learning specialists builds predictive and generative AI models for drug design, across many therapeutic areas and drug types, with the long-term ambition of helping to solve disease.
