Research Scientist (Machine Learning)

Isomorphic Labs; Greater London; Hybrid; GBP 68,000 - 83,000; Full time

Job summary

Isomorphic Labs (IsoLabs) is seeking a Research Scientist (Machine Learning) in London to apply world-leading ML algorithms to drug discovery and build scalable training and inference frameworks.

The role emphasizes collaboration across disciplines, mentorship, and leading research directions in deep learning, with a hybrid working model requiring 3 days in the office.

Qualifications

• PhD or equivalent practical experience in a technical field.
• Proven track record in ML using deep learning, including designing architectures and hands-on experiments.
• Strong knowledge of linear algebra, calculus, and statistics.
• Experience using ML frameworks such as PyTorch, TensorFlow, or JAX, and scientific software such as NumPy, SciPy, or Pandas.
• Experience with leading or supervising projects depending on experience.
• Nice to have: PhD in ML or computer science.
• Nice to have: publications or contributions to ML codebases.
• Nice to have: experience with biology/chemistry/physics data.
• Nice to have: experience with real-world datasets and ML on accelerators.
• Nice to have: expertise in DL areas like generative models, GNNs, CV, or RL.

Responsibilities

• Contribute to research directions applying world-leading ML to drug discovery.
• Identify and create novel ML techniques and the required training data.
• Develop architectures and training algorithms for ML models.
• Analyse and tune results; implement and scale training/inference frameworks.
• Report findings to ML scientists and cross-disciplinary colleagues.
• Iterate with scientists and domain experts, sharing your experience.
• Mentor and guide ML researchers and projects as needed.
• Foster an inclusive, collaborative team culture.

Skills

Deep learning

Experimentation

Math proficiency

Leadership experience

Research communication

Education

PhD or equivalent

Nice to have: PhD in ML/CS

Tools

PyTorch

TensorFlow

JAX

NumPy

SciPy

Pandas

Job description

Salary: £75,000 - 75,000 per year

Requirements:

• PhD or equivalent practical experience in a technical field.
• 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.
• 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.
• Nice to have: relevant research experience such as postdoctoral roles, a proven track record of publications, or contributions to machine learning codebases.
• Nice to have: experience working in a scientific environment across disciplines, particularly biology, chemistry, or physics.
• Nice to have: experience working with biological or chemical data and biological or chemistry software.
• Nice to have: experience working with real-world datasets.
• Nice to have: experience with ML on accelerators.
• Nice to have: 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, or real-world applied RL.

Responsibilities:

• Contribute to our research directions in machine learning by applying 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 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, advise on projects, and shape our research roadmap based on deep technical expertise.
• Depending on your experience: provide developmental support to other ML research scientists.
• Depending on your experience: create, lead, and run ML research projects, fostering collaborative and diverse teams to solve high priority modelling problems.
• Depending on your experience: cultivate a diverse and inclusive research culture.

Technologies:

• 3D
• AI
• Computer Vision
• Support
• Machine Learning
• PyTorch
• Robotics
• TensorFlow
• numpy
• pandas
• LESS

More:

We are Isomorphic Labs (IsoLabs), launched in 2021 to advance human health by building on and beyond the Nobel-winning AlphaFold system. We are applying frontier AI to help unlock deeper scientific insights, faster breakthroughs, and life-changing medicines, with the ambition to solve all disease. Our interdisciplinary team of drug discovery experts and machine learning specialists is building powerful predictive and generative AI models to accelerate scientific discovery at digital speed. We are a world-leading drug design engine working across multiple therapeutic areas and drug modalities, continually innovating on model architecture and cutting-edge capabilities to advance rational drug design. This Research Scientist (Machine Learning) role is based in London. We offer a highly creative, fast-paced, and collaborative environment with a hybrid working model, requiring office attendance three days a week. We value thoughtful, brave, determined, and collaborative ways of working, and we are committed to building an inclusive environment where every employee feels supported and able to thrive.

last updated 36 week of 2026