Research Scientist (Machine Learning)

About the role

Isomorphic Labs is applying advanced AI to deepen scientific understanding, speed up major discoveries, and help create medicines that can change lives, with the long-term goal of tackling all diseases. The company was founded in 2021 to build on the Nobel Prize-winning AlphaFold system and has since assembled an interdisciplinary team of drug discovery specialists and machine learning experts working on predictive and generative AI for scientific discovery at high speed.

The organisation sees a close connection between biology and information science, and uses AI to model complex biological systems, design new molecules, predict how drugs may behave, and support the development of innovative medicines for some of the world’s most serious diseases. Its drug design platform spans multiple therapeutic areas and modalities, and the team continues to advance model design and other cutting-edge capabilities for rational drug discovery.

Your impact

In this machine learning research role, you will help build new ML models and algorithms from the ground up to strengthen the platform that supports drug discovery. You will work in a fast-moving, creative, and highly interdisciplinary setting alongside engineers and scientists to design and develop advanced techniques that improve modelling and prediction for complex biology and chemistry problems.

Based on your background, you may also take on project leadership responsibilities, coordinate teams of scientists and engineers on ambitious modelling challenges, and offer technical mentorship or people management within the ML research community.

What you will do

• Shape research directions in machine learning by applying advanced algorithms to drug discovery challenges.
• Develop new ML techniques and identify the data needed to train them effectively.
• Design model architectures and training methods.
• Review experimental outcomes, interpret results, and use them to guide next steps.
• Build and scale engineering systems for model training and inference.
• Communicate research progress and findings clearly to ML colleagues and experts from other scientific disciplines.
• Work closely with scientists and domain specialists to refine ideas and share expertise.
• Propose and join collaborations that help achieve ambitious research objectives.
• Depending on experience, mentor ML researchers, support their development, lead research initiatives, and help foster an inclusive, collaborative research environment.

Essential qualifications

You should have a PhD or equivalent practical experience in a technical discipline, along with a strong background in deep learning research. The role calls for hands-on experience designing new architectures, running experiments, analysing results, and visualising findings.

Strong grounding in linear algebra, calculus, and statistics is required, together with experience using ML frameworks such as JAX, PyTorch, or TensorFlow, and scientific libraries such as NumPy, SciPy, or Pandas. A genuine interest in using ML research to solve real-world problems is important. Depending on seniority, you may also need project supervision, leadership, or management experience.

Preferred background

• PhD in machine learning or computer science.
• Postdoctoral or similar research experience, a publication record, or contributions to ML codebases.
• Experience working in scientific settings across disciplines such as biology, chemistry, or physics.
• Exposure to biological or chemical data and related scientific software.
• Experience working with real-world datasets.
• Familiarity with ML on accelerators.
• Experience in one or more of the following areas: large-scale deep learning, generative models, graph neural networks, deep learning for drug discovery, deep learning for computer vision, 3D graphics/robotics, or applied reinforcement learning.

Culture and values

The company is guided by four values: Thoughtful, Brave, Determined, and Together. Thoughtful means curiosity, creativity, and care; Brave reflects initiative and integrity; Determined captures urgency, confidence, and agility; and Together emphasises collaboration, connection, and shared impact.

Isomorphic Labs aims to build an extraordinary company where diverse skills, experiences, and perspectives are valued, collaboration is central, and employees are supported to do their best work. The company is committed to equal employment opportunity regardless of sex, race, religion or belief, ethnic or national origin, disability, age, citizenship, marital or partnership status, sexual orientation, gender identity, pregnancy, breastfeeding, or any other protected basis. Candidates who need accommodations because of a disability or other additional need are encouraged to get in touch.

Working model

This is a hybrid role based in London. You are expected to work from the office three days each week, currently Tuesday, Wednesday, and one additional day depending on the team. If you have needs that make this arrangement difficult, the company is open to discussing reasonable adjustments during the initial screening stage.

Application note

Any information submitted with an application will be handled according to the company’s privacy policy.