Isomorphic Laboratories applies advanced AI to accelerate and improve drug discovery, enabling researchers to design molecules and predict their performance earlier in development. The company builds…
Isomorphic Laboratories applies advanced AI to accelerate and improve drug discovery, enabling researchers to design molecules and predict their performance earlier in development. The company builds…
Core proposition: AI-first drug discovery platform building on AlphaFold to design and simulate therapeutic candidates
Founded: 2021
Headquarters: King's Cross, London
Notable founder/CEO: Sir Demis Hassabis
Recent funding: $600M external round (Mar 31, 2025) led by Thrive Capital
Company Overview
Problem Domain
Drug discovery and early-stage therapeutic design
Founded
2021
Industry
Biotechnology Research
Tech Stack
AlphaFold-derived modeling
Deep learning
Machine learning
Funding Track Record
Series D- 2025-03-31
$600,000,000
First external funding round; participation from GV and follow-on capital from Alphabet
Investor Signal
“Led by Thrive Capital with participation from GV and follow-on capital from Alphabet”
Founders
What we do
Join the Team
Research Scientist
On-SiteLondon, GB
On-Site • London, GB
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Who you are
PhD or equivalent practical experience in a technical field
Highly specialized LLM builder with a passion for, and strong experience in, applying LLMs to novel problem spaces
Deep understanding and experience of model architectures, training methods, and techniques for application of LLMs, including deployment for bespoke use cases and applications, established experience in post-training, reasoning, test-time scaling, tool-use, alignment, agents, LLM research, as well as reinforcement learning and fine-tuning
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
Depending on your experience: project supervision, leadership, or management
Strong knowledge of LLM landscape today, and likely developments for the near future
Experience working with real-world datasets
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
A strong background in biology or medicine, enabling you to bridge the gap between advanced AI capabilities and complex scientific problems in drug discovery
Experience working in a scientific environment across disciplines (particularly biology, chemistry, physics), and with real world biological or chemical datasets and biological or chemistry software
Experience in computational chemistry, bioinformatics, or related fields would be highly beneficial, along with a track record of applying AI to real-world scientific challenges
Experience with multi-parameter optimization
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
What the job involves
Benefits
Hybrid working: It’s hugely important for us to share knowledge and build strong relationships with each other, and we find it easier to do this if we spend time together in person. This is why we follow a hybrid model, and would require you to be able to come into the office 3 days a week (currently Tuesday, Wednesday, and one other day depending on which team you’re in). If you have additional needs that would prevent you from following this hybrid approach, we’d be happy to talk through these if you’re selected for an initial screening call
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As a Research Scientist focused on the application of Large Language Models (LLMs), you will play an exciting role in bringing cutting edge technologies to bear across our research areas 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 research scientists and engineers to conceive, design, and develop cutting edge LLM applications that help to unlock new modelling capabilities and predictive power which will be critical to the organisation’s success.
You will draw upon your existing deep understanding and experience whilst learning from those around you, to apply novel techniques and ideas to newly encountered computational biology and chemistry problems
You will both partner with teams across our existing research areas and create and lead standalone projects, bringing together a variety of disciplined scientists and engineers to pursue some of the most ambitious modelling problems through the application of LLMs - as well as providing technical mentorship and people management for others in the ML community at Isomorphic Labs
You will be instrumental in leading machine learning based research projects, building the models, and algorithms that will power our platform to drive us close to achieving our ambitious mission to one day solve all disease with the help of AI
Contribute to core research in machine learning by pushing the boundaries of Large Language Models in their application to the world of drug discovery
Develop and refine LLM-driven approaches for multiple use cases across our research areas, using your extensive knowledge of the field to modify and apply models and explore their capabilities when applied to complex biological and medical challenges
Identify and create novel ML techniques and the required data to train and apply 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