Latest Drug Discovery Jobs

Head of Medicinal Chemistry, Drug Design, London

Lead and strategically guide a team of 25 medicinal chemists in redefining drug discovery through deep integration with AI. Shape the scientific direction of projects from hit identification to candidate nomination, while fostering collaboration with AI, biology, and pre-clinical teams. Drive innovation by challenging traditional approaches and embedding an AI-first culture across drug design workflows.

Isomorphic Labs London, United Kingdom

On-site Permanent

Software Engineer (Data Services), London

You will develop and maintain scalable data services and platforms that support AI-driven drug discovery, working closely with scientists and ML researchers. The role involves building robust data pipelines, designing data models, and enabling high-velocity research through reliable, production-grade systems. You'll operate across the tech stack in a collaborative, interdisciplinary environment focused on transforming biomedical research with cutting-edge AI.

Isomorphic Labs London, United Kingdom

On-site Permanent

Senior Machine Learning Research Engineer

This role involves building and scaling generative and predictive machine learning models for cellular behaviour using multi-omic and interventional biological data. The engineer will implement large neural networks, optimise distributed training and inference pipelines, and collaborate closely with ML scientists and biologists to translate research into production-grade systems. Work focuses on robust infrastructure development, performance optimisation, and integrating cutting-edge ML tooling within an interdisciplinary team.

Relation Therapeutics London, United Kingdom

Permanent

Associate Director, Data Engineering

Lead and scale a unified data platform that integrates wet and dry lab data to accelerate drug discovery. You'll build and manage a high-performing data engineering team, ensure FAIR data principles, and drive scalable, secure infrastructure using modern orchestration and cloud technologies. The role bridges computational science, engineering, and lab operations in a highly interdisciplinary environment.

Relation Therapeutics London, United Kingdom

On-site Permanent

Senior Security Engineer (AI Safety), London, Lausanne

This role involves securing AI-driven drug discovery systems by designing risk frameworks, protecting ML model artifacts, and implementing security controls across the AI lifecycle. The engineer will lead incident response for AI-specific threats, safeguard autonomous agentic workflows, and ensure compliance with evolving regulations like the EU AI Act. Close collaboration with ML researchers and platform teams is essential to embed security into high-velocity scientific innovation.

Isomorphic Labs United Kingdom

Hybrid Permanent

Bioanalytical Lead, London

Lead the development and execution of bioanalytical strategies for AI-designed therapeutics across small molecules, biologics, and ADCs. Bridge computational discovery with wet-lab validation by designing robust assays, managing global CROs, and integrating data into AI models. Play a key role in IND-enabling studies and cross-functional preclinical teams.

Isomorphic Labs London, United Kingdom

Hybrid Permanent

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 for a digital biology platform. Translate complex scientific and business objectives into secure, automated systems while enabling high-velocity research in a regulated, interdisciplinary environment. Collaborate closely with ML researchers, medical teams, and Google/Alphabet stakeholders to secure cloud infrastructure, AI workflows, and sensitive life sciences data.

Isomorphic Labs United Kingdom

Associate Director, Clinical Program Management, Cambridge, MA

The Clinical Program Manager will lead the transition of internal drug programs from pre-IND to clinical trial execution, managing cross-functional teams, timelines, budgets, and vendor partnerships. The role involves close collaboration with preclinical, AI/ML, and data science teams to integrate emerging technologies into clinical development. This is a hybrid position requiring 3 days per week in the Cambridge, MA office.

Isomorphic Labs England

Hybrid Permanent

General Application - Register Your Interest

This role invites expressions of interest for future opportunities across software engineering, machine learning, computational chemistry, and technical program management. Candidates will contribute to a mission-driven team leveraging cutting-edge AI to accelerate drug discovery and advance digital biology. The work involves interdisciplinary collaboration to build and apply AI models for transformative impact in medicine.

Isomorphic Labs United Kingdom

Hybrid Permanent

Medical Director, Clinical Development (Oncology), Cambridge, MA

Lead clinical development for oncology programs by translating AI-driven insights into actionable trial strategies. Serve as medical monitor and primary clinical liaison, ensuring scientific rigor, patient safety, and regulatory compliance across early-phase trials. Collaborate with cross-functional teams to advance novel therapeutics from discovery to proof-of-concept.

Isomorphic Labs England

Hybrid Permanent

Senior/Principal Machine Learning Scientist (Generative Modelling)

This role involves developing generative and predictive models of cellular behaviour using single-cell multi-omics and perturbation data, with a focus on causal inference, counterfactual prediction, and guiding experimental design. The scientist will work iteratively with wet-lab teams to validate hypotheses and refine models, operating at the intersection of machine learning and experimental biology. The position emphasizes mechanistic fidelity, real-world utility, and interdisciplinary collaboration in a high-impact drug discovery environment.

Relation Therapeutics London, United Kingdom

On-site Permanent

Senior Machine Learning Scientist (Single Cell)

Develop machine learning models tailored to single-cell and multiomic biological data to understand cellular responses to interventions and inform therapeutic strategies. Work at the intersection of generative modelling and experimental biology, collaborating closely with wet-lab scientists to translate biological questions into modelling problems and interpret results in meaningful ways. Contribute to the research roadmap and advance the biological coherence of model evaluation beyond standard metrics.

Relation Therapeutics London, United Kingdom

On-site Permanent

Data Scientist – Computational Genomics, 12-month

This role involves applying and developing machine learning and statistical models to analyse multi-omics and genomics datasets, with a focus on target identification and validation in drug discovery. The Data Scientist will work at the intersection of genetics, machine learning, and functional biology, integrating large-scale human genetics and single-cell data to uncover disease mechanisms. Collaboration with experimental and computational teams is central, with an emphasis on scalable workflows, hypothesis validation, and scientific communication.

Relation Therapeutics London, United Kingdom

On-site Permanent

Senior Data Scientist (Imaging)

This role involves developing generative and predictive models of cellular behaviour using high-content imaging data such as cell painting and brightfield assays. The Senior Data Scientist will curate imaging datasets, design evaluation frameworks to distinguish biological signal from artefact, interpret foundation model outputs, and collaborate closely with wet lab teams to ensure data quality and analytical tractability. The position is embedded in a multidisciplinary environment integrating machine learning, single-cell multi-omics, and functional assays to advance drug discovery.

Relation Therapeutics London, United Kingdom

On-site Permanent

Senior Data Scientist (Single Cell)

Develops generative and predictive models of cellular behaviour using single-cell multi-omics data, including scRNA-seq and scATAC-seq. Builds scalable Nextflow pipelines and integrates multimodal datasets with proteomics and imaging. Works closely with wet lab and ML teams to design experiments and validate biological relevance of models.

Relation Therapeutics London, United Kingdom

Permanent