Latest Drug Discovery Jobs

Head of Computational Drug Design, Cambridge, MA

Leads the Computational Drug Design team in advancing AI-driven drug discovery, integrating machine learning with computational chemistry to accelerate the development of novel therapeutics. Oversees project delivery from hit identification to candidate nomination, mentors a team of computational chemists, and collaborates across AI, biology, and medicinal chemistry functions. Plays a key role in shaping strategy, guiding external partnerships, and embedding AI into rational drug design workflows.

Isomorphic Labs Cambridge, United Kingdom

Hybrid Permanent

Head of Medicinal Chemistry, Drug Design, London

As Head of Medicinal Chemistry, you will lead a team of 25 chemists in London, driving the development of novel drugs using cutting-edge AI and machine learning. You will provide strategic direction, mentor team members, and collaborate closely with AI/ML scientists to accelerate drug discovery and clinical candidate nomination.

Isomorphic Labs London, United Kingdom

On-site Permanent

Data Management Specialist, London

As a Data Management Specialist, you will play a crucial role in curating and integrating high-quality experimental data to support drug discovery projects. You will collaborate with discovery project teams to ensure that all necessary chemistry and biological assay data is efficiently captured and available, contributing to the development of groundbreaking AI/ML models.

Isomorphic Labs London, United Kingdom

On-site Permanent

Data Scientist (Analytics), London

As a Data Scientist at Isomorphic Labs, you will work with a multidisciplinary team to analyze and optimize the performance of AI-driven drug design processes. Your role involves capturing and analyzing business intelligence data, implementing telemetry, and designing key metrics to drive informed decision-making across various teams.

Isomorphic Labs London, United Kingdom

On-site Permanent

Senior Technical Program Manager (Preclinical), London

This role involves managing the non-clinical aspects of IND submissions, including CMC, DMPK, pharmacology, and tox reporting. You will create and maintain detailed project plans, manage data and document workflows, and coordinate cross-functionally to ensure regulatory compliance and successful submissions.

Isomorphic Labs London, United Kingdom

On-site Permanent

Synthetic Chemistry Lead, London

As a Synthetic Chemistry Lead, you will apply your expertise to drive improvements in Isomorphic Labs' AI/ML Drug Design Platform and advance active drug discovery programs. You will collaborate with multidisciplinary teams, manage CROs, and contribute to the development of novel molecules and medicines.

Isomorphic Labs United Kingdom

Hybrid Permanent

Chemistry Lead (Induced Proximity), London

As a Chemistry Lead in the Induced Proximity team, you will develop and apply a cutting-edge platform to tackle traditionally intractable protein targets in drug discovery. You will collaborate with AI/ML and drug design experts to drive projects towards clinical trials, pushing the boundaries of what is possible in the field.

Isomorphic Labs United Kingdom

Hybrid Permanent

Clinical Program Manager, Cambridge, MA

The Clinical Program Manager will lead the transition of internal drug programs from pre-IND stages into clinical trial execution, coordinating cross-functional global teams and external vendors. This role involves managing timelines, budgets, risks, and deliverables while leveraging AI-driven insights to enhance trial efficiency and success. The position is based in Cambridge, MA, with a hybrid work model requiring in-office presence three days per week.

Isomorphic Labs Cambridge, United Kingdom

Hybrid Permanent

Bioanalytical Lead, London

This role involves leading bioanalytical strategy for AI-designed drug candidates across small molecules, biologics, and ADCs, from discovery through preclinical development. The candidate will design and validate PK, PD, and immunogenicity assays, manage global CROs, integrate bioanalytical data into AI models, and support regulatory submissions including INDs. A key focus is bridging computational discovery with wet-lab execution in a fast-paced, interdisciplinary environment.

Isomorphic Labs London, United Kingdom

Hybrid Permanent

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

Lead clinical development strategy for oncology programs, translating AI-driven insights into actionable trial designs and guiding assets from discovery through proof-of-concept. Serve as medical monitor and primary clinical liaison, ensuring scientific rigor, regulatory compliance, and patient safety across cross-functional teams and global health authority interactions.

Isomorphic Labs Cambridge, United Kingdom

Hybrid Permanent

Research Scientist (Applied LLMs), London

This role involves developing and refining large language model (LLM) applications to accelerate drug discovery, working in close collaboration with interdisciplinary scientists. The Research Scientist will innovate on model architectures, apply LLMs to complex biological challenges, and contribute to a cutting-edge AI-driven drug design platform. The position emphasizes technical leadership, experimentation, and cross-disciplinary iteration to advance digital biology.

Isomorphic Labs London, United Kingdom

Hybrid Permanent

PKPD Modelling Lead, London

Isomorphic Labs is applying frontier AI to help unlock deeper scientific insights, faster breakthroughs, and life-changing medicines with an ambition to solve all disease.The future is coming. A future enabled and enriched by the incredible power of machine learning. A...

Isomorphic Labs London, United Kingdom

Software Engineer (HPC Platform), London

As a Software Engineer focused on GPU infrastructure, you will play a key role in designing, optimizing, and managing the large-scale AI/ML infrastructure that powers Isomorphic Labs' groundbreaking research. You will collaborate with machine learning experts, biotech researchers, and cross-functional teams to ensure the reliability and efficiency of our AI models and cloud infrastructure.

Isomorphic Labs London, United Kingdom

On-site Permanent

DMPK Lead, London

As a DMPK Lead, you will drive the DMPK strategy for drug discovery projects, integrating quantitative pharmacology and AI models to deliver high-quality clinical candidates. You will collaborate with interdisciplinary teams to design and implement stage-appropriate DMPK strategies, optimize the use of datasets, and support project progression through data-driven decision-making.

Isomorphic Labs United Kingdom

Hybrid Permanent

Team / Research Leader (Translational Oncology), London

This role involves leading the development and execution of comprehensive translational strategies for Isomorphic Labs' oncology pipeline. You will collaborate with interdisciplinary teams, manage a group of biologists, and ensure the successful transition of AI-designed drugs from preclinical to clinical stages, focusing on biomarker and patient selection strategies.

Isomorphic Labs United Kingdom

Hybrid Permanent