Senior Machine Learning Engineer

Isomorphic Labs Limited; City of London; Hybrid; GBP 70,000 - 90,000; Full time

Job summary

A pioneering AI research organization in London is looking for a Senior Machine Learning Engineer to design and evaluate innovative ML models for drug discovery. This role involves collaborating with top researchers in a hybrid environment and plays a critical part in advancing healthcare through effective AI applications. Ideal candidates possess strong programming skills in Python and experience with large-scale ML systems.

Qualifications

• Strong experience developing large-scale machine learning models.
• Extensive programming experience, particularly with Python.
• Conversant with modern ML frameworks like JAX, PyTorch or TensorFlow.

Responsibilities

• Design, develop, train, and evaluate ML models.
• Build a scalable ML drug design research environment.
• Develop tools for large-scale machine learning experiments.

Skills

Large-scale machine learning models

Python programming

JAX, PyTorch or TensorFlow

ML research and development lifecycle

Software design and architecture

Data structures and algorithms

Job description

Overview

Isomorphic Labs is applying frontier AI to help unlock deeper scientific insights, faster breakthroughs, and life-changing medicines with an ambition to solve all disease. The company aims to use machine learning to accelerate drug discovery and build a culture of interdisciplinary collaboration.

Isomorphic Labs (IsoLabs) was launched in 2021 to advance human health by building on and beyond the Nobel-winning AlphaFold system. The team has built powerful predictive and generative AI models that accelerate scientific discovery at digital speed. The name reflects the belief in symmetry between biology and information science, and the goal to design novel molecules, anticipate drug performance, and develop medicines to treat and cure diseases.

IsoLabs has built a world-leading drug design engine with AI models that work across multiple therapeutic areas and drug modalities. The company continues to innovate on model architecture and capabilities to advance rational drug design. Every day, breakthroughs bring us closer to solving all disease with AI.

Senior Machine Learning Engineer

Your impact
Join our expanding Applied ML team and apply your expertise to cutting-edge ML models, specifically working with Bio models. This role offers the opportunity to collaborate closely with world-class researchers to drive innovation. You will work in a creative, iterative environment partnering with engineers, scientists and ML researchers to build the platform driving our transformation. This is a newly created role and you will need to use your experience and initiative to contribute.

What You Will Do

• Partner with the ML Research, Drug Design, and Data Engineering teams to design, develop, train, and evaluate a variety of cutting edge ML models at unprecedented scale.
• Build a world-class ML drug design research environment with scalable software and libraries.
• Develop tools and libraries to enable large-scale machine learning experiments across thousands of accelerators.
• Maximise model performance, scalability, and robustness for production use within our computational platform.
• Create novel instrumental drug discovery tools in partnership with domain experts. Take end-to-end ownership from rapid prototyping to production-quality code.
• Iterate collaboratively with scientists and domain experts to deeply understand feature requirements and user feedback.

Essential skills and qualifications

• Strong experience with developing large-scale machine learning models.
• Extensive programming experience using mainstream languages, including strong Python experience.
• Experience with modern ML frameworks including at least one of JAX, PyTorch or TensorFlow.
• Experience with the full ML research and development lifecycle.
• Experience partnering with research and product teams to prototype and ideally productionise ML models.
• Strong software engineering experience with software design/architecture skills.
• Strong understanding of ML theory and applications.
• Strong understanding of data structures and algorithms.
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Nice to have

• Interest in chemistry and biology.
• Experience working with biomedical data.
• Knowledge of the pharmaceutical industry, ideally with a focus on drug discovery.
• Experience developing user facing production code.

Culture and values

We are guided by our shared values. These values help to guide our work and will continue to strengthen it.

Thoughtful—curiosity, creativity and care in rigorous, future-making science.

Brave—fearlessness, initiative and integrity in addressing large-scale challenges.

Determined—pursuit of goals with urgency and agility because disease won’t wait.

Together—connection, collaboration across fields and catalytic relationships to create real impact.

Creating An Extraordinary Company—we value diverse skills and experiences and strive for an environment where collaboration, learning, and support enable everyone to thrive. We are committed to equal employment opportunities regardless of sex, race, religion or belief, ethnic or national origin, disability, age, citizenship, marital or civil partnership status, sexual orientation, gender identity, pregnancy or related condition, or any other basis protected by law. If you require accommodations, please let us know.

Hybrid working

We follow a hybrid model to share knowledge and build strong relationships. You would be expected to come into the office 3 days a week (currently Tuesday, Wednesday, and one other day depending on team). If you have additional needs, we’re happy to discuss accommodations during the screening process.

Please note that when you submit an application, your data will be processed in line with our privacy policy.