Director, Molecular AI & Federated Learning
Eli Lilly and Company
September 03, 2026
Full-time
Remote friendly (Indianapolis, IN)
Worldwide
Other
Role: Senior technical leader in Lilly's TuneLab platform, focused on federated learning and molecular AI for drug discovery. Responsibilities: define research strategy, develop federated foundation models, lead advances in semi-supervised/self-supervised learning, design scalable algorithms for federated optimization, and create predictive and generative models for small-molecule design, ADMET profiling, and multi-objective optimization. Provide mentorship to data scientists and engineers, guide scientific collaborations, and contribute to scientific publications. Requirements: PhD in Computer Science, Computational Chemistry, or related fields; 5+ years (preferably 8+) applying ML in biopharma R&D or equivalent impact. High-value: expertise in federated learning, deep generative models, graph neural networks, medicinal chemistry, ADMET, and cheminformatics tools; experience in molecular generation, multi-task learning, and privacy-preserving ML. Location: Indianapolis, San Francisco, or Boston; up to 10% travel.