Principal AI Engineer (GenAI) - Molecular Discovery

Bristol Myers Squibb • San Diego, CA

1d

About The Position

Working with Us Challenging. Meaningful. Life-changing. Those aren’t words that are usually associated with a job. But working at Bristol Myers Squibb is anything but usual. Here, uniquely interesting work happens every day, in every department. From optimizing a production line to the latest breakthroughs in cell therapy, this is work that transforms the lives of patients, and the careers of those who do it. You’ll get the chance to grow and thrive through opportunities uncommon in scale and scope, alongside high-achieving teams. Take your career farther than you thought possible. Bristol Myers Squibb recognizes the importance of balance and flexibility in our work environment. We offer a wide variety of competitive benefits, services and programs that provide our employees with the resources to pursue their goals, both at work and in their personal lives. Read more: careers.bms.com/working-with-us. Summary: Own the strategy and delivery of LLM-native applications, agentic predictive-model workflows, and insight-driven analytics platforms that accelerate large and small-molecule invention. Translate scientific objectives into intuitive software products and robust model-ops practices that help chemists, protein engineers, and data scientists iterate faster, uncover deeper insights, and make better decisions. Agentic LLM-Driven Scientific Applications Using Agentic LLM frameworks, build scientifically grounded conversational analytics, automated reports, and “copilot” workflows with complex scientific datasets and tools. Deliver full-stack applications, React/Next.js fronts with Python/FastAPI & GraphQL services - that surface models and analytics at scale. Molecular Discovery ML Enablement Champion predictive-model use-cases across small and large molecule discovery (e.g., property prediction, sequence optimization, generative design). Familiarity platforms that orchestrate cutting-edge structure- and sequence-prediction toolkits (RDKit, OpenEye, Schrödinger LiveDesign, AlphaFold) for CADD, sequence design and developability assessment. Model-Ops & Engineering Excellence Stand up automated pipelines for data curation, experiment tracking, CI/CD, and governed model release (PyTorch/TensorFlow + MLflow/Kubeflow/SageMaker + GitHub Actions). Package and deploy predictive applications and model endpoints to cloud-native MLOps or on-prem containers for scalable inference and performant access. Codify reusable templates, inner-source libraries, and design systems that cut feature time-to-value by 40%. Leadership & Collaboration Mentor a cross-disciplinary team of full-stack, data and AI engineers; foster “better-than-best” practices in code quality, documentation, and UX research. Partner with discovery leads, IT operations, and external vendors to align technical backlogs with portfolio milestones and data-quality standards. Influence budgeting and make-vs-buy decisions for AI tooling and platform enhancements. Join Us: Empower researchers with the AI tools, agentic workflows, and insight-driven applications they need to invent the next generation of therapeutics - faster, smarter, and at scale. If you come across a role that intrigues you but doesn’t perfectly line up with your resume, we encourage you to apply anyway. You could be one step away from work that will transform your life and career.

Requirements

• Agentic LLM engineering depth - Demonstrated success building Agentic LLM workflows and LLM-native Applications; fine-tuning and deploying LLMs, diffusion models, or vision transformers for scientific or operational use-cases.
• Discovery & Molecular Tooling Context - 5+ years with relevant advanced degree building/supporting platforms and tools, for computational compound design and protein engineering workflows (Schrodinger, OpenEye, Alphafold); fluent in SAR analysis, sequence/structure predictions, and assay lifecycles.
• Modern MLOps - IaC (Terraform/CloudFormation), automated testing, secrets management, continuous model evaluation, lineage tracking.
• Influence & communication - lead architecture reviews, map tech choices to scientific KPIs, mentor cross-functional teams, and guide roadmap workshops with executives and bench scientists alike.

Nice To Haves

• Contributions to open-source molecular-design projects.
• Advanced Python & React; shipped production apps that integrate APIs, scale model inference, and manage complex research datasets.
• Comfortable packaging and operating applications/models on Kubernetes/EKS, serverless FaaS, or on-prem containers.
• Knowledge of GPU runtime tuning or Triton-based multi-model serving.
• Experience crafting cookie-cutter templates or inner-source libraries that accelerate team velocity.
• Cloud-architect certifications (AWS Pro, Azure Expert, etc.).
• Multi-cloud deployment mastery (AWS, Azure, GCP).
• M.S. or Ph.D. in Computer Science, Machine Learning, Computational Chemistry/Biology, or related field; Cloud-architect certification a plus.

Responsibilities

• Own the strategy and delivery of LLM-native applications, agentic predictive-model workflows, and insight-driven analytics platforms that accelerate large and small-molecule invention.
• Translate scientific objectives into intuitive software products and robust model-ops practices that help chemists, protein engineers, and data scientists iterate faster, uncover deeper insights, and make better decisions.
• Using Agentic LLM frameworks, build scientifically grounded conversational analytics, automated reports, and “copilot” workflows with complex scientific datasets and tools.
• Deliver full-stack applications, React/Next.js fronts with Python/FastAPI & GraphQL services - that surface models and analytics at scale.
• Champion predictive-model use-cases across small and large molecule discovery (e.g., property prediction, sequence optimization, generative design).
• Familiarity platforms that orchestrate cutting-edge structure- and sequence-prediction toolkits (RDKit, OpenEye, Schrödinger LiveDesign, AlphaFold) for CADD, sequence design and developability assessment.
• Stand up automated pipelines for data curation, experiment tracking, CI/CD, and governed model release (PyTorch/TensorFlow + MLflow/Kubeflow/SageMaker + GitHub Actions).
• Package and deploy predictive applications and model endpoints to cloud-native MLOps or on-prem containers for scalable inference and performant access.
• Codify reusable templates, inner-source libraries, and design systems that cut feature time-to-value by 40%.
• Mentor a cross-disciplinary team of full-stack, data and AI engineers; foster “better-than-best” practices in code quality, documentation, and UX research.
• Partner with discovery leads, IT operations, and external vendors to align technical backlogs with portfolio milestones and data-quality standards.
• Influence budgeting and make-vs-buy decisions for AI tooling and platform enhancements.

Benefits

• Bristol Myers Squibb recognizes the importance of balance and flexibility in our work environment. We offer a wide variety of competitive benefits, services and programs that provide our employees with the resources to pursue their goals, both at work and in their personal lives.
• Health Coverage: Medical, pharmacy, dental, and vision care.
• Wellbeing Support: Programs such as BMS Well-Being Account, BMS Living Life Better, and Employee Assistance Programs (EAP).
• Financial Well-being and Protection: 401(k) plan, short- and long-term disability, life insurance, accident insurance, supplemental health insurance, business travel protection, personal liability protection, identity theft benefit, legal support, and survivor support.
• Work-life benefits include: Paid Time Off US Exempt Employees: flexible time off (unlimited, with manager approval, 11 paid national holidays (not applicable to employees in Phoenix, AZ, Puerto Rico or Rayzebio employees) Phoenix, AZ, Puerto Rico and Rayzebio Exempt, Non-Exempt, Hourly Employees: 160 hours annual paid vacation for new hires with manager approval, 11 national holidays, and 3 optional holidays Based on eligibility, additional time off for employees may include unlimited paid sick time, up to 2 paid volunteer days per year, summer hours flexibility, leaves of absence for medical, personal, parental, caregiver, bereavement, and military needs and an annual Global Shutdown between Christmas and New Years Day.
• All global employees full and part-time who are actively employed at and paid directly by BMS at the end of the calendar year are eligible to take advantage of the Global Shutdown.

What This Job Offers

• Job Type: Full-time
• Career Level: Mid Level