Research Advisor - AI for Science (ADMET Intelligence)

Role Summary

We are seeking a Research Advisor to reimagine the next generation of drug discovery at Lilly. Sitting at the intersection of AI/ML, Chemistry, and Biology, you will pioneer state-of-the-art technologies that fundamentally change how we understand biology and navigate chemical space, turning breakthroughs in AI/ML into life-saving medicine. Geography for this position is flexible.

Responsibilities

• Drive drug discovery programs by developing and applying innovative AI/ML models.
• Collaborate closely with experimental scientists to connect computational predictions with lab experiments. You will support hypothesis testing and help iterate between modeling and experimental results.
• Lead the development of scientific foundation models that integrate molecular design and biological data, gaining experience with approaches that support decision‑making across the drug discovery pipeline.
• Advance the field by publishing findings in top-tier venues and representing Lilly at the forefront of the global AI4Science community.
• Work with MLOps and Data Engineering partners to help transition research prototypes into scalable tools, learning guidelines for building reusable and reliable AI/ML solutions for discovery teams.

Qualifications

• Required: PhD in Computer Science, Machine Learning, Statistics, Computational Chemistry, Computational Biology, Physics, or a Scientific field.
• Required: Innovation in science evidenced by first-author publications in high-impact journals or top-tier ML conferences.
• Required: Experience in modern AI/ML frameworks and architectures relevant to molecular data (e.g. GNN, Transformers etc.).
• Preferred: Demonstrated ability to translate chemistry and biology problems into machine learning formulations.
• Preferred: Experience collaborating with lab scientists to develop AI/ML solutions that drive the next cycle of experimentation and model refinement.