AI Scientist (Model Building & Training)
Eli Lilly and Company
Summary
As an Advisor - AI Scientist, you will design, train, and evaluate foundation models that advance scientific discovery across chemistry and biology. Working at the intersection of machine learning, chemistry, biology, and physics, you will conduct fundamental research to develop AI approaches that deepen our understanding of molecular and biological systems. Using Lilly's proprietary experimental data, you will build and validate generative and predictive models that help transform scientific insights into drug discovery breakthroughs.
Job description
About the Role
As an Advisor - AI Scientist, you will design, train, and evaluate foundation models that advance scientific discovery across chemistry and biology. Working at the intersection of machine learning, chemistry, biology, and physics, you will conduct fundamental research to develop AI approaches that deepen our understanding of molecular and biological systems. Using Lilly's proprietary experimental data, you will build and validate generative and predictive models that help transform scientific insights into drug discovery breakthroughs.
How You'll Succeed
- Advance the state of the art in AI for drug discovery by designing and developing generative and predictive models for molecular, chemical, and biological systems.
- Translate machine learning into scientific impact across challenges such as molecular design, target identification, genomics, and structure-based discovery.
- Design rigorous evaluation strategies that connect model performance to meaningful scientific and experimental outcomes.
- Partner closely with researchers, engineers, and domain experts to accelerate the application of AI in discovery programs.
- Drive research from concept to impact, balancing scientific innovation with practical application.
What You Should Bring
- Deep expertise in computational chemistry/biology, genomics, or a related scientific field.
- Recognized expertise in ML research, with significant contributions to generative, predictive, or foundation models for scientific applications.
- Shown impact through publications at leading research venues, patents, open-source contributions, or other notable scientific achievements.
- Advanced proficiency in Python and modern machine learning frameworks (e.g., PyTorch or JAX), with the ability to independently design, implement, train, and evaluate AI models.
- Experience leading complex research initiatives from hypothesis through scientific validation and impact.
- Demonstrated ability to collaborate across scientific and technical disciplines and communicate complex findings to diverse audiences.
- Experience designing, training, and evaluating large neural networks on GPU infrastructure.
- Prior experience applying machine learning to chemical, biological, or other scientific data.
Your Basic Qualifications
- PhD in Machine Learning, Computer Science, Computational Chemistry, Computational Biology, Bioinformatics, Physics, Statistics, or a closely related quantitative field.
- 2+ years of relevant research experience beyond the PhD, in industry or in a postdoctoral research position.
Location & Work Flexibility
This role is based at our Silicon Valley Hub. We offer a flexible hybrid work model, with three days onsite and two days working remotely each week, supporting both collaboration and work-life balance.
Requirements
- PhD in Machine Learning, Computer Science, Computational Chemistry, Computational Biology, Bioinformatics, Physics, Statistics, or a closely related quantitative field
- 2+ years of relevant research experience beyond the PhD, in industry or in a postdoctoral research position
- Deep expertise in computational chemistry/biology, genomics, or a related scientific field
- Recognized expertise in ML research with contributions to generative, predictive, or foundation models
- Advanced proficiency in Python and modern machine learning frameworks (e.g., PyTorch or JAX)
- Experience designing, training, and evaluating large neural networks on GPU infrastructure
- Prior experience applying machine learning to chemical, biological, or other scientific data
- Experience leading complex research initiatives from hypothesis through scientific validation and impact
- Demonstrated ability to collaborate across scientific and technical disciplines and communicate complex findings to diverse audiences
Benefits
- 401(k) Matching
- Pension
- Vacation Benefits
- Medical, Dental & Vision
- Prescription Drug Benefits
- Flexible Spending Accounts
- Life Insurance
- Death Benefits
- Employee Assistance Program
- Fitness Benefits
- Company Bonus
Company overview
Eli Lilly and Company, commonly known as Lilly, is a leading American multinational pharmaceutical corporation headquartered in Indianapolis, Indiana. Founded in 1876 by Colonel Eli Lilly, the company has grown into one of the world's most valuable pharmaceutical enterprises, with operations in approximately 125 countries. Lilly specializes in developing and manufacturing innovative medicines across multiple therapeutic areas, including diabetes, oncology, neuroscience, immunology, and cardiometabolic diseases. The company is renowned for its groundbreaking work in insulin production, having been the first to mass-produce insulin and later developing the first commercially available insulin product in the U.S. Lilly's current portfolio includes blockbuster medications such as Mounjaro and Zepbound (tirzepatide) for diabetes and obesity, Trulicity (dulaglutide) for type 2 diabetes, Verzenio (abemaciclib) for breast cancer, and Taltz (ixekizumab) for autoimmune conditions. With approximately 47,000 employees worldwide, Lilly maintains a strong commitment to research and development, investing heavily in scientific innovation to address some of the world's most significant health challenges. The company operates with a mission to make life better for people around the world through the discovery and delivery of innovative medicines.