Latest Drug Discovery Jobs

Software Engineer (ML Infrastructure), London

This role involves building and operating a large-scale inference platform to serve cutting-edge machine learning models for scientific drug discovery applications. You will work deeply with distributed systems, Kubernetes, and Python concurrency models while ensuring platform reliability, scalability, and observability. The position requires strong ownership, first-principles thinking, and close collaboration with ML and scientific teams to support AI-driven biological research.

Isomorphic Labs London, United Kingdom

On-site Permanent

Software Engineer (Compute Efficiency), London

This role involves designing, deploying, and scaling robust observability systems and telemetry pipelines to monitor compute efficiency and hardware health across distributed clusters. You will work closely with ML and platform teams to optimize accelerator utilization and improve workload goodput, contributing to the reliability of ML runs and the overall efficiency of the compute infrastructure.

Isomorphic Labs London, United Kingdom

Senior/Principal Machine Learning Scientist (Generative Modelling)

Develop generative and predictive models of cellular behaviour using multi-omic and perturbation data, with a focus on causal inference and counterfactual prediction. Collaborate closely with experimental teams to iteratively design and validate hypotheses in wet-lab settings. Work in a highly interdisciplinary environment combining machine learning, biology, and engineering to drive novel therapeutic discovery.

Relation Therapeutics London, United Kingdom

On-site Permanent

Machine Learning Scientist, Generative Modelling

Design and implement machine learning models tailored to single-cell and multiomic biological data to understand cellular responses to interventions. Collaborate closely with wet-lab scientists to translate biological questions into modelling problems and ensure models capture biologically meaningful insights. Contribute to research roadmap development and advance cellular modelling through interdisciplinary collaboration.

Relation Therapeutics London, United Kingdom

On-site Permanent

Research Leader (DMPK), Cambridge, MA

Leads DMPK strategy in drug discovery projects, integrating AI-first approaches to optimize ADME and toxicology models. Designs screening cascades and interprets DMPK, PD, and safety data to guide candidate selection. Collaborates with chemistry, pharmacology, and AI teams to advance molecules from hit identification to clinical development.

Isomorphic Labs Cambridge, United Kingdom

Research Leader (Toxicology), Cambridge, MA

Lead toxicology strategy for drug discovery projects using an AI-first approach, guiding safety assessment from early discovery to regulatory submission. Develop predictive toxicology models in collaboration with machine learning teams and external CROs. Mentor team members and contribute to reducing animal testing through innovative, data-driven methodologies.

Isomorphic Labs Cambridge, United Kingdom

Research Engineer (LLM Performance), London

You will work on optimizing large language models for performance and scalability within a cutting-edge AI-driven drug discovery environment. The role involves implementing post-training methods, diagnosing bottlenecks in distributed systems, and deploying low-precision techniques to support real-world drug design applications. Collaboration with interdisciplinary research teams is central to translating novel AI methods into production-ready systems.

Isomorphic Labs London, United Kingdom

ML Research Engineer, London

Develop and optimise cutting-edge AI models at the intersection of machine learning and drug discovery, translating research into scalable, production-ready systems. Work closely with scientists to build predictive and generative models using advanced deep learning techniques, with a focus on innovation in computational biology and chemistry. Contribute to a collaborative, interdisciplinary team advancing a digital biology platform for transformative medicine development.

Isomorphic Labs London, United Kingdom

On-site Permanent

Research Scientist (Applied LLMs), London

A Research Scientist will focus on applying Large Language Models to drug discovery challenges, developing novel ML techniques and models that integrate with biological and chemical data. The role involves close collaboration with interdisciplinary teams of scientists and engineers to advance AI-driven drug design. Work includes model development, experimentation, and scaling frameworks for predictive applications in a fast-paced research environment.

Isomorphic Labs London, United Kingdom

Hybrid Permanent

Research Scientist (Machine Learning), London

A Research Scientist in machine learning will develop novel deep learning models and algorithms to accelerate drug discovery, working in an interdisciplinary team of scientists and engineers. The role involves designing architectures, training models, and applying ML to complex biological and chemical problems, with opportunities to lead projects and mentor others depending on experience.

Isomorphic Labs London, United Kingdom

Hybrid Permanent

Staff Software Engineer (Inference Platform), London

Design and optimize large-scale AI/ML infrastructure for biotech research, focusing on GPU/TPU systems, Kubernetes orchestration, and inference platform reliability. Build robust monitoring, CI/CD, and job scheduling systems to support high-throughput model serving and digital biology breakthroughs.

Isomorphic Labs London, United Kingdom

On-site Permanent

Senior Security Engineer (AI Safety), London, Lausanne

This role involves securing AI-first drug discovery platforms by designing risk frameworks, protecting ML model artifacts, and implementing security controls across distributed training and inference systems. The engineer will lead AI-specific incident response, develop guardrails for LLMs and autonomous agents, and ensure compliance with global regulations like the EU AI Act. Close collaboration with ML researchers and platform teams is essential to embed security into the full AI lifecycle while advancing AI safety standards.

Isomorphic Labs United Kingdom

Hybrid Permanent

Bioanalytical Lead, London

This role involves leading bioanalytical strategy for a diverse portfolio of AI-designed therapeutics, including small molecules, biologics, and Antibody-Drug Conjugates. The candidate will design and validate PK, PD, and immunogenicity assays, manage global CROs, and integrate wet-lab data back into AI models to improve predictive accuracy. They will also author regulatory submissions and ensure robust cross-functional collaboration across drug discovery, translational medicine, and computational biology teams.

Isomorphic Labs London, United Kingdom

Hybrid Permanent

Director of Nonclinical Safety, Cambridge, MA

Lead the development and execution of nonclinical safety strategies for small molecule and biologic drug candidates in an AI-driven drug discovery environment. Pioneer the integration of artificial intelligence into toxicology assessment, build a scalable safety function, and collaborate across interdisciplinary teams to de-risk clinical translation. Represent the company in regulatory interactions with health authorities and help validate AI-generated safety models for regulatory acceptance.

Isomorphic Labs Cambridge, United Kingdom

Security Engineering Manager, London or Lausanne

Lead and scale a security engineering team at the forefront of AI-driven drug discovery, designing and implementing a robust, AI-first security architecture. Translate complex scientific and business objectives into secure, automated systems while enabling high-velocity research in a regulated, cloud-native environment. Collaborate closely with ML researchers, medical teams, and Google/Alphabet partners to secure cutting-edge digital biology platforms.

Isomorphic Labs United Kingdom

Hybrid Permanent