ML Research Engineer, London

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 future is coming. A future enabled and enriched by the incredible power of machine learning. A future in which diseases are curtailed or cured starting with better and faster drug discovery.

Come and be part of an interdisciplinary team driving groundbreaking innovation and play a meaningful role in contributing towards us achieving our ambitious goals, while being a part of an inspiring and collaborative culture.

The world we want tomorrow is the one we’re building today. It starts with the culture at this company. It starts with you.

About Iso

Isomorphic Labs (IsoLabs) was launched in 2021 to advance human health by building on and beyond the Nobel-winning AlphaFold system. Since then, our interdisciplinary team of drug discovery experts and machine learning specialists has built powerful new predictive and generative AI models that accelerate scientific discovery at digital speed.

Our name comes from the belief that there is an underlying symmetry between biology and information science. By harnessing AI’s powerful capabilities, we can use it to model complex biological phenomena to help design novel molecules, anticipate how drugs will perform and develop innovative medicines to treat and cure some of the world’s most devastating diseases.

We have built a world-leading drug design engine comprising AI models that are capable of working across multiple therapeutic areas and drug modalities. We are continually innovating on model architecture and developing cutting-edge capabilities to advance rational drug design.

Every day, and with each new breakthrough, we’re getting closer to the promise of digital biology, and achieving our ambitious mission to one day solve all disease with the help of AI.

Research Engineering (Machine Learning), London or Lausanne

We are looking for Research Engineers with different levels of experience - Mid through to Senior, Staff, Principal or equivalent levels.

Your impact

This is an exciting opportunity for you to contribute to frontier research at the intersection of AI and drug design.

Working in a highly creative, iterative environment, you will be partnering with scientists and engineers to advance foundational models that will transform the biopharmaceutical world as we know it.

You will draw upon your existing engineering and Machine Learning experience whilst learning from those around you, to apply novel techniques and ideas to newly encountered computational biology and chemistry problems.

What You Will Do

Implementation & Optimisation:

• Translate research concepts into practical implementations by developing and optimising state-of-the-art AI models, and building and maintaining robust codebases, data pipelines, and infrastructure for training and evaluation.

Experimentation & Evaluation:

• Design, implement, and run experiments to evaluate the performance and robustness of ML models, using a full spectrum of state-of-the-art machine learning methods. Evaluating, tuning, and maintaining AI/ML models (which includes collecting and preparing data as needed)

Evaluation & Inference:

• Implement algorithms and software to analyse and evaluate the performance of AI models.
• Optimising performance of AI/ML models such as Diffusion models, Transformers, GNNs, leveraging a deep understanding of the AI/ML hardware+software stack
• Advise on how to bring AI/ML models to production and/or integrating them into product offerings, and monitoring and refining their behavior.
• Developing specialised tools/frameworks/infrastructure to aid in the work above

Collaboration & Knowledge Sharing:

• Work closely with research scientists and engineers, contributing to team discussions, sharing knowledge, and actively participating in code reviews to foster a collaborative environment.

Innovation & Impact:

• Proactively identify and address technical challenges, stay updated on the latest AI advancements, and focus on developing solutions that enable scaling our wider foundation and applied model platforms.
• Ability to execute on independent engineering projects and software development towards research goals.

Essential

Skills and Qualifications

• PhD in technical subject with major engineering component and exposure to AI/ML, or BSc, MSc and 2+ years of specific experience working on ML model development:
• Strong general engineering experience, as evidenced by exposure to one or more of:
• Software design / algorithms, especially for deep learning frameworks
• Modern ML frameworks such as JAX, PyTorch or TensorFlow
• Distributed systems and runtimes
• Compilers (e.g. XLA, Triton, CUDA, Pallas, …)
• Large scale model training and serving infrastructure
• Experience in navigating complex research codebases
• Databases and data processing pipelines
• Numerical methods, simulation, optimi