Director, Molecular AI & Federated Learning
Eli Lilly and Company
September 03, 2026
Full-time
Remote friendly (Boston, MA)
Worldwide
Other
Role: Senior technical leader in Lilly's TuneLab platform, focusing on federated learning and molecular AI to accelerate small-molecule drug discovery. Responsibilities: set research strategy for privacy-preserving foundation models, advance semi/self-supervised learning, develop scalable federated architectures, and create multi-task, property-predictive, and generative models for drug design; mentor scientists and guide external collaborations. Requirements: PhD in computational chemistry, ML, or related; 5+ years industry experience (preferably 8+) applying machine learning in drug discovery; deep expertise in medicinal chemistry, ADMET prediction, federated learning, and molecular modeling. High-Value: AI/ML-driven small-molecule optimization, federated and multi-task learning, generative chemistry, ADMET property prediction, federated architecture development, and explainability; associated with early-stage biotech innovation. WorkSetup: based in Indianapolis, San Francisco, or Boston; up to 10% travel to industry conferences.