Principal Scientist, Biologics AI

About the Role

We are seeking an experienced and visionary Principal Scientist to lead Biologics AI innovation at AstraZeneca’s US R&D centers in Waltham, MA or Gaithersburg, MD. This is a high‑impact scientific leadership role accountable for defining and executing the AI strategy that integrates state‑of‑the‑art machine learning with wet‑lab discovery to accelerate biologics engineering and enable next‑generation biotherapeutics. You will set technical direction, own delivery across multiple programs, and shape data generation at scale—working across computational and experimental functions and with global partners to translate AI into robust, reproducible advances in discovery.

Key Responsibilities

• Strategic leadership and vision: Define and drive the AI strategy for biologics discovery and engineering, setting priorities and roadmaps that integrate AI and wet‑lab capabilities and deliver measurable impact on pipeline goals.

• Program ownership: Lead multiple cross‑functional discovery initiatives from problem framing through deployment, ensuring rapid translation of computational insights into experimental design and decision‑making.

• Advanced ML innovation: Architect, develop, and guide application of cutting‑edge models—protein language models, structure‑informed and geometric methods, de novo/protein design, and multi‑modal learning that fuses sequence, structure, and biological activity data—to solve high‑value scientific problems.

• AI–wet‑lab integration at scale: Establish closed‑loop design–build–test–learn workflows with experimental teams, formalizing feedback cycles, uncertainty quantification, and active learning to improve model reliability and throughput.

• Data strategy and governance: Set standards for high‑quality data generation, curation, and metadata; partner with wet‑lab leaders to design assays and campaigns that maximize ML utility and reproducibility; influence data platform evolution in collaboration with informatics and engineering.

• End‑to‑end ML lifecycle leadership: Oversee and improve processes across data pipelines, model development, validation, deployment, monitoring, and continuous improvement, including best practices for reproducibility, documentation, and scientific rigor.

• Technical mentorship and team development: Mentor and upskill scientists across AI/ML and experimental domains; provide day‑to‑day technical guidance and contribute to recruitment and development of a high‑performing team.

• Stakeholder influence and communication: Communicate strategy, progress, risk, and scientific insights to senior stakeholders; influence portfolio decisions and advocate for AI‑enabled approaches internally and with external partners.

• External scientific leadership: Drive publications, patents, and external visibility; represent AstraZeneca in collaborations and at scientific venues; evaluate and integrate emerging methods and tools.

Required Qualifications

• Education and experience: PhD in computer science, machine learning, bioinformatics, computational biology, physics, chemistry, mathematics, engineering, or a related quantitative field, with typically 8+ years of relevant post‑degree experience in academia and/or industry; or a Master’s with 12+ years of relevant experience.

• Domain impact in biologics AI: Demonstrated track record applying AI/ML to proteins, antibodies, or related biologics, with clear examples of methods translated into experimental outcomes, platform capabilities, or pipeline decisions.

• Deep technical expertise: Hands‑on leadership in developing and deploying advanced ML (deep learning, generative models, structure‑aware and geometric methods, sequence/structure multi‑modal models) for protein sequence modeling, structure‑informed prediction, de novo design, or biologics optimization.

• Closed‑loop integration: Proven success establishing iterative computational–experimental cycles (e.g., active learning, design–build–test–learn), including designing experiments to interrogate model predictions and improve data/model quality.

• Lifecycle and systems: Experience leading the full ML lifecycle at scale—data design and preprocessing, model architecture, training/evaluation, deployment, monitoring, and maintenance—using modern ML frameworks (e.g., PyTorch, TensorFlow) and software engineering best practices.

• Data and platforms: Experience with cloud‑based ML environments and scalable data workflows; ability to specify requirements and partner with data engineering/IT to evolve production ML systems that support discovery at scale.

• Cross‑functional leadership: Strong record of influencing and delivering in matrixed, multidisciplinary environments, bridging AI scientists, computational biologists, protein engineers, and wet‑lab teams across sites.

• Scientific communication: Excellent communication skills with the ability to synthesize complex technical concepts for diverse audiences and to shape scientific and portfolio decisions.

• Innovation and delivery: Evidence of scientific innovation and impact through publications, patents, platform creation, or deployment of AI methods that materially improved experimental or business outcomes.

Preferred Qualifications

• Protein and antibody engineering: Experience with antibody/nanobody/protein engineering, including de novo design and multi‑objective optimization for developability, stability, and functional performance.

• Advanced methodologies: Expertise with generative models (e.g., diffusion, autoregressive LMs), geometric deep learning/graph neural networks, Bayesian optimization, uncertainty quantification, and active learning for guided experimentation.

• Multi‑modal learning: Experience integrating heterogeneous data types (sequence, structure, biophysics/biochemistry assays, high‑throughput binding/functional data, bioprocess/developability metrics) into unified models.

• Productionization and MLOps: Experience leading deployment of scientific software/ML models into production discovery workflows, including model monitoring, versioning, and compliance with governance standards.

• Data generation strategy: Demonstrated ability to design or refine assay strategies and experimental campaigns to maximize downstream ML performance and data reuse, including metadata standards and FAIR principles.

• People and project leadership: Prior experience leading scientists and managing complex projects or collaborations; ability to set goals, delegate effectively, and deliver against timelines.

• External profile: Strong external scientific presence (peer‑reviewed publications, patents, invited talks, open‑source contributions, or community standards). 

Why Join Us?

As part of AstraZeneca’s dynamic US biologics R&D community, you will play a critical role in shaping the future of AI-driven biologics discovery and engineering. Collaborating across cutting-edge computational and experimental teams, you’ll drive innovation that brings transformative medicines to patients around the world. You will be supported by a collaborative, inclusive, and empowering environment, with unparalleled opportunities for scientific impact and personal growth. 

The annual base pay for this position ranges from $186,014.40 - $279,021.60. Our positions offer eligibility for various incentives—an opportunity to receive short-term incentive bonuses, equity-based awards for salaried roles and commissions for sales roles. Benefits offered include qualified retirement programs, paid time off (i.e., vacation, holiday, and leaves), as well as health, dental, and vision coverage in accordance with the terms of the applicable plans.

Date Posted

12-May-2026

Closing Date

18-May-2026

Our mission is to build an inclusive environment where equal employment opportunities are available to all applicants and employees. In furtherance of that mission, we welcome and consider applications from all qualified candidates, regardless of their protected characteristics. If you have a disability or special need that requires accommodation, please complete the corresponding section in the application form.

AstraZeneca embraces diversity and equality of opportunity. We are committed to building an inclusive and diverse team representing all backgrounds, with as wide a range of perspectives as possible, and harnessing industry-leading skills. We believe that the more inclusive we are, the better our work will be. We welcome and consider applications to join our team from all qualified candidates, regardless of their characteristics. We comply with all applicable laws and regulations on non-discrimination in employment (and recruitment), as well as work authorisation and employment eligibility verification requirements.