Research Scientist (all levels), Machine Learning, London

Isomorphic Labs is a new Alphabet company that is reimagining drug discovery through a computational- and AI-first approach.

We are on a mission to accelerate the speed, increase the efficacy and lower the cost of drug discovery. You’ll be working at the cutting edge of the new era of ‘digital biology’ to deliver a transformative social impact for the benefit of millions of people.

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

Your impact

As a Research Scientist in machine learning (ML), you will play an exciting role in building greenfield machine learning based models and algorithms that will power our platform to transform the drug discovery world as we know it.

Working in a highly creative, fast-paced and interdisciplinary… environment, you will be partnering with leading engineers and scientists to conceive, design, and develop cutting edge machine learning algorithms to unlock new modelling and predictive power which will be critical to the organisation’s success. You will draw upon your existing deep research experience whilst learning from those around you, to apply novel techniques and ideas to newly encountered computational biology and chemistry problems.

Depending on your experience:

You will create and lead projects, bringing together a variety of disciplined scientists and engineers to pursue some of the most ambitious modelling problems with deep learning – as well as providing technical mentorship and people management for others in the ML community at Isomorphic Labs

You will be instrumental in leading greenfield machine learning based research projects, building the models, and algorithms that will power our platform to transform the drug discovery world as we know it.

What you will do

Contribute to our research directions in machine learning by using your extensive knowledge of the field to apply world-leading ML algorithms to drug discovery.

Identify and create novel ML techniques and the required data to train.

Develop the architectures and training algorithms of machine learning models.

Analyse and tune experimental results to inform future experimental directions.

Implement and scale training and inference engineering frameworks.

Report and present research findings and developments clearly and efficiently, to both other ML scientists and scientists of different disciplines.

Iterate collaboratively with scientists and domain experts, sharing your own domain experience.

Suggest and engage in team collaborations to meet ambitious research goals.

Depending on your experience:

Provide technical mentorship and guidance to the ML research community, advising on projects, and shaping our research roadmap based on your deep technical expertise.

Provide developmental support to other ML research scientists.

Create, lead, and run ML research projects, fostering collaborative and diverse teams to solve high priority modelling problems.Cultivate a diverse and inclusive research culture.

Skills and qualifications


PhD or equivalent practical experience in a technical field.

A proven track record in machine learning using deep learning techniques, including designing new architectures, hands-on experimentation, analysis, and visualisation.

Strong knowledge of linear algebra, calculus and statistics

Experience using ML frameworks such as JAX, PyTorch, or TensorFlow, and scientific software such as NumPy, SciPy, or Pandas

A passion for applying ML research to real world problems

Depending on your experience: project supervision, leadership, or management.

Nice to have

PhD in machine learning or computer science.

Relevant research experience to the position such as post doctoral roles, a proven track record of publications, or contributions to machine learning codebases.

Scientific knowledge of biology, chemistry, or physics

Experience working in a scientific environment across disciplines (particularly biology, chemistry, physics)

Experience working with biological or chemical data and biological or chemistry software

Experience working with real-world datasets

Experience with ML on accelerators

Experience in any of: large scale deep learning, generative models, graph neural networks, deep learning for drug discovery, deep learning for computer vision, 3D graphics/robotics, real-world applied RL


Isomorphic Labs


Language requirements:

Specific requirements:

Educational level:

Level of experience (years):

Senior (5+ years of experience)

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About Isomorphic Labs

We are reimagining the entire drug discovery process from first principles with an AI-first approach.