Full-Time

ML Research Engineer

Posted on 5/8/2026

Isomorphic Labs

Isomorphic Labs

201-500 employees

AI-powered drug discovery and development

No salary listed

London, UK

Hybrid

Requires hybrid work; must be in-office 3 days/week (Tue, Wed, and one other day).

Category
AI & Machine Learning (2)
,
Required Skills
Tensorflow
Neural Networks
CUDA
Pytorch
Requirements
  • PhD in a technical subject with major engineering component and exposure to artificial intelligence/machine learning, or Bachelor of Science, Master of Science and 2+ years of specific experience working on machine learning model development
  • Strong general engineering experience, as evidenced by exposure to one or more of: software design and algorithms, especially for deep learning frameworks; modern machine learning frameworks such as JAX, PyTorch or TensorFlow; distributed systems and runtimes; compilers (e.g. XLA, Triton, CUDA, Pallas, etc.); large scale model training and serving infrastructure; experience in navigating complex research codebases; databases and data processing pipelines; numerical methods, simulation, optimisation
  • Strong fundamentals in mathematics, statistics, and linear algebra
  • Experience with the full machine learning research and development lifecycle
  • Strong understanding of machine learning theory and applications
  • Strong understanding of data structures and algorithms
Responsibilities
  • Translate research concepts into practical implementations by developing and optimising state-of-the-art artificial intelligence models, and building and maintaining robust codebases, data pipelines, and infrastructure for training and evaluation
  • Design, implement, and run experiments to evaluate the performance and robustness of machine learning models, using a full spectrum of state-of-the-art machine learning methods, including collecting and preparing data as needed
  • Implement algorithms and software to analyse and evaluate the performance of AI models
  • Optimise performance of AI/ML models such as diffusion models, transformers, and graph neural networks, leveraging a deep understanding of the artificial intelligence and machine learning hardware and 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
  • Develop specialised tools, frameworks, and infrastructure to aid in the work above
  • Work closely with research scientists and engineers, contributing to team discussions, sharing knowledge, and actively participating in code reviews to foster a collaborative environment
  • Proactively identify and address technical challenges, stay updated on the latest AI advancements, and focus on developing solutions that enable scaling the wider foundation and applied model platforms
  • Ability to execute on independent engineering projects and software development towards research goals
Desired Qualifications
  • Interest in chemistry and biology
  • Experience working with biomedical data
  • Knowledge of the pharmaceutical industry, ideally with a focus on drug discovery

Isomorphic Labs uses artificial intelligence to speed up drug discovery and development. It applies machine learning and computational methods—building predictive and generative models—to accelerate how drugs are designed and how medical research is conducted. The company differentiates itself by combining the AI breakthroughs from Google DeepMind with Alphabet backing, enabling fast experimentation and scaling across biology while maintaining startup-style agility. Its goal is to bring safer, more effective therapies to market more quickly by advancing AI-driven medicine using deep learning, reinforcement learning, and other advanced techniques.

Company Size

201-500

Company Stage

Late Stage VC

Total Funding

$2.6B

Headquarters

London, United Kingdom

Founded

2021

Simplify Jobs

Simplify's Take

What believers are saying

  • Advancing AI-designed drugs to human trials in oncology and immunology via Eli Lilly, Novartis partnerships.
  • Nearing $2 billion funding round after $600 million raise led by Thrive Capital in April 2025.
  • Appointing Dr. Ben Wolf as CMO establishes US presence for clinical expansion.

What critics are saying

  • Exscientia gains first AI-drug approval in Phase III trials March 2026, diverting Eli Lilly partnerships.
  • FDA March 2026 guidance mandates 5-year data, halting IsoDDE trials without $500M wet-lab spend.
  • OpenAI o1-pro with Sanofi data outperforms IsoDDE by 25% on affinities per January 2026 benchmarks.

What makes Isomorphic Labs unique

  • IsoDDE doubles AlphaFold 3 accuracy on protein-ligand benchmarks announced February 2026.
  • IsoDDE identifies novel binding pockets from amino acid sequences in seconds.
  • Proprietary models predict binding affinities exceeding physics-based methods at fraction of cost.

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Benefits

Hybrid Work Options

Growth & Insights and Company News

Headcount

6 month growth

3%

1 year growth

3%

2 year growth

1%
Isomorphic Labs
Jun 17th, 2025
Isomorphic Labs appoints Dr. Ben Wolf as Chief Medical Officer and establishes US Presence

Isomorphic Labs appoints Dr. Ben Wolf as Chief Medical Officer and establishes US Presence.

Forbes
Jun 11th, 2025
Nvidia Announces Massive New Initiatives In Pharma And Clinical Research

Nvidia has quickly become a leader in the AI ecosystem. NurPhoto via Getty ImagesFounder and CEO of Nvidia, Jensen Huang, announced today in his GTC Paris keynote that the company has inked two new large partnerships to advance the company’s work in healthcare and life-sciences.The first is with European based global pharmaceutical giant, Novo Nordisk, to advance drug discovery and development efforts by leveraging an existing partnership with the Danish Centre for AI Innovation’s (DCAI) Gefion AI supercomputer. Novo Nordisk will utilize Gefion and a variety of Nvidia platforms such as BioNeMo, Nim, and Omniverse to build and develop customized AI models, foster agentic AI workflows and even create simulation and digital twin environments to advance physical AI applications. The primary goal will be to use these tools to better understand potential drug candidates and structures in order to build molecular models that can further the drug discovery and development pipeline.Rory Kelleher, senior director of business development for life sciences at Nvidia, explains that drug discovery can claim massive benefits from generative AI, especially in the R&D space. Mishal Patel, senior vice president of AI and digital innovation at Novo Nordisk, comments that the combination of Gefion and Nvidia’s computing platforms is an unprecedented approach and will enable the building of custom models that can truly empower better efficiency and efficacy. More generally, Gefion is a computational behemoth and has been used by numerous enterprises to advance their computing capabilities; for example, Danish startup Teton has been working with Nvidia and Gefion to build out an AI care companion for clinical settings.The second partnership that Nvidia announced today is with IQVIA to advance the use of AI agents in the clinical research and commercialization spaces

BW Healthcare World
Jun 2nd, 2025
Isomorphic Labs Raises $600M in Q1 2025

UK biopharma venture financing surged to $1.1 billion in Q1 2025, doubling from $550 million in Q4 2024, driven by Isomorphic Labs' $600 million and Verdiva Bio's $411 million rounds. Despite global downturns, UK investment rose from $827 million in 2022 to $1.7 billion in 2024. However, US investors funded most of Q1 2025's total, highlighting reliance on overseas capital. UK initiatives aim to boost domestic investment, but upcoming drug-pricing policy changes may increase costs.

Labiotech.eu
Apr 24th, 2025
21 Uk Biotech Companies You Should Know About

Newsletter Signup - Under Article / In Page"*" indicates required fields The UK is home to several biotech hubs, including the famous ‘golden triangle’, made up of Oxford, Cambridge, and London. In fact, after a $700 million surge in funding in the third quarter of 2023 started an upward trajectory, the UK biotech scene is now one of the most vibrant in Europe, laying the foundation for numerous companies to develop innovative technologies, some of which have spun out of the nation’s most prestigious universities. In this article, we take a look at 21 UK biotech companies you should know about. Amphista Therapeutics Disease areas: Oncology and neurologyTechnology: Targeted protein degradationRecent news: Unveiled new data demonstrating the potential of its protein degraders in animal modelsAmphista Therapeutics is focused on transforming the lives of patients with severe diseases, with a particular focus on cancer. The company is applying its proprietary Amphista degrader platform to advance new approaches in targeted protein degradation (TPD). Its next-generation bifunctional molecules use a novel approach that makes use of a wider range of the body’s own innate protein degrading mechanisms than those used by most other TPD companies. This proprietary approach offers the potential to overcome many of the limitations seen with current TPD approaches – such as those associated with the use of a narrow range of protein degrading mechanisms – providing the opportunity to treat a wider range of diseases. In May 2023, the UK biotech company announced that it had achieved its first discovery milestone under its collaboration and license agreement with Bristol Myers Squibb

Sifted
Apr 16th, 2025
Isomorphic Labs raises $600m in Q1

In Q1, European startups raised €12.8 billion, with healthtech leading, including Isomorphic Labs' $600 million raise. AI agent startups also saw significant investment, with 61 deals totaling €827 million. Despite fewer deals, larger rounds were common, with a median equity deal size of €3 million. Debt funding reached €4 billion. Four new unicorns emerged, including Tines and Neko Health. The UK led in equity fundraising, while Ireland and Spain showed strong growth.