Latest Isomorphic Labs Jobs

Research Leader / Senior Scientist (Computational Drug Design), Cambridge, MA

This role involves leading drug discovery programs using AI-first approaches, combining computational chemistry expertise with machine learning to accelerate the design of novel therapeutics. The candidate will guide projects from initiation to candidate selection, collaborate across disciplines, and help shape the evolution of Isomorphic Labs' AI platform. Opportunities exist for both scientific leadership and people management, with a focus on innovation in molecular design and strategic problem-solving.

Isomorphic Labs Cambridge, United Kingdom

Research Leader (DMPK), Cambridge, MA

Lead DMPK strategy for drug discovery projects using an AI-first approach, integrating quantitative pharmacology and ADME data to guide candidate selection. Develop predictive models, optimise molecule design in collaboration with chemistry teams, and support regulatory submissions. Work within a multidisciplinary team to advance novel therapeutics from hit identification to first-in-human trials.

Isomorphic Labs Cambridge, United Kingdom

Research Engineer (LLM Performance), London

This role involves advancing large language models for drug discovery by optimizing post-training methods, scaling frontier AI systems, and solving performance bottlenecks in distributed training and inference. The engineer will collaborate with interdisciplinary teams to translate research into production-ready systems, applying low-precision techniques and performance optimization strategies to real-world drug design challenges. Work focuses on improving model efficiency and scalability within a mission-driven environment combining AI and computational biology.

Isomorphic Labs London, United Kingdom

Application Support Engineer (Third Party Systems), London

The role involves deploying, securing, and maintaining self-hosted third-party applications within cloud environments, with a strong focus on automation, security, and scalability. You'll manage the full lifecycle of internal tools, including CI/CD pipelines, Kubernetes orchestration, identity integration, and continuous security scanning. The position bridges operations, integration, and security teams to ensure reliable, compliant, and high-performing platform services.

Isomorphic Labs London, United Kingdom

Research Leader / Senior Scientist (Medicinal Drug Design), Cambridge, MA

Lead or contribute to drug discovery projects by integrating medicinal chemistry expertise with AI-driven platforms. Collaborate closely with machine learning scientists to refine predictive models, guide programs from hit identification to candidate selection, and manage external research partners. The role emphasizes innovation in structure-based and fragment-based design within a dynamic, interdisciplinary environment.

Isomorphic Labs Cambridge, United Kingdom

Executive Assistant, London

This Executive Assistant role supports senior leadership at a cutting-edge AI-driven biotech firm focused on transforming drug discovery. You will manage complex calendars, coordinate high-stakes meetings across global time zones, and streamline executive operations with precision and discretion. The role demands proactive problem-solving, strong organisational skills, and close collaboration with cross-functional teams in a hybrid working environment.

Isomorphic Labs London, United Kingdom

Hybrid Permanent

Director, Translational Medicine, Oncology, Cambridge, MA

Lead the development and execution of translational medicine strategies for oncology programs, integrating AI-driven insights to inform clinical trial design and biomarker development. Drive cross-functional collaboration across drug discovery, computational biology, and clinical teams to advance novel therapies from preclinical stages through clinical proof of concept. Pioneer innovative diagnostic approaches and leverage multi-omic datasets to validate mechanisms of action and resistance in cancer therapies.

Isomorphic Labs Cambridge, United Kingdom

Senior Alliance Manager, London

This role involves managing strategic partnerships in a cutting-edge AI-driven drug discovery environment. You will oversee alliance governance, coordinate joint research and development plans, and act as a key liaison between internal teams and external partners. The position plays a critical part in driving scientific and commercial value across long-term collaborations within a multidisciplinary, innovation-focused culture.

Isomorphic Labs London, United Kingdom

Hybrid Permanent

Bioinformatics Engineer, London

This role involves building and maintaining a high-fidelity biological data layer to support machine learning at Isomorphic Labs. You will develop large-scale bioinformatics pipelines, harmonize public and internal datasets, and collaborate with interdisciplinary teams to ensure data quality and standardization. The work directly accelerates drug discovery by providing robust, ML-ready biological data.

Isomorphic Labs London, United Kingdom

Hybrid Permanent

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

ML Research Engineer, London

This role involves developing and optimizing cutting-edge AI models at the intersection of machine learning and drug discovery. You'll work in a collaborative, interdisciplinary environment to translate research into scalable, production-ready systems, focusing on foundational models like Transformers, GNNs, and Diffusion models. The position emphasizes innovation in computational biology and chemistry, with a strong focus on robust codebases, data pipelines, and full-cycle ML development.

Isomorphic Labs London, United Kingdom

On-site Permanent

Research Scientist (Applied LLMs), London

A Research Scientist role focused on applying Large Language Models to drug discovery challenges, working within an interdisciplinary team of AI and life sciences experts. The position involves developing novel LLM-driven methods, refining models for biological and medical applications, and collaborating across scientific domains. The role requires deep technical expertise in LLMs and a strong foundation in machine learning and computational science.

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 a cross-disciplinary environment with scientists and engineers. The role involves designing architectures, training models, and applying cutting-edge ML techniques to biological and chemical problems, with opportunities to lead projects and mentor others depending on experience.

Isomorphic Labs London, United Kingdom

Hybrid Permanent

Senior Scientist (In vivo Pharmacology & Translational Sciences), Cambridge, MA

Lead translational strategies for oncology and immunology programs by designing in vivo pharmacology and PK/PD studies, bridging computational predictions with experimental validation. Work across CROs to generate robust data for candidate selection and clinical translation, integrating biomarker strategies and informing first-in-human trial design.

Isomorphic Labs England

Software Engineer (TechOps), London

This role involves building and managing cloud infrastructure for a cutting-edge AI-driven drug discovery platform. You'll work across the full software lifecycle, focusing on GCP, Kubernetes, and Infrastructure-as-Code to support scientists, ML researchers, and engineers. The position emphasizes technical ownership, cross-functional collaboration, and scaling systems for digital biology innovation.

Isomorphic Labs United Kingdom

Hybrid Permanent