Advisor, Computational Chemistry

About the role

At Lilly, the work is demanding because patients are waiting. We unite caring with discovery to help make life better for people around the world, knowing that every decision, every detail, and every day matters. This is hard, urgent, selfless work—but it’s worth doing. If you’re driven by purpose and ready to bring your best to work that truly matters for patients, we invite you to join us.

What you'll do

• Lead retrosynthesis AI/ML and reaction-prediction efforts for synthetic molecule route design and development, applying tools such as ASKCOS, Synthia
• Understand, execute and integrate retrosynthesis AI/ML models and quantum mechanical (QM) models to synthetic molecules
• Develop molecular level mechanistic knowledge to support CM&C control strategy
• Help create and deploy data chemistry platforms and databases with regards to synthetic metrics that help drive and inform business decisions
• Assess synthetic routes for design and process risk, prioritizing where risk concentrates before experimental work begins

What you need

• 1–3 yrs of experience
• Chemistry
• Machine learning
• Linux
• LLMs
• Documentation
• Python
• PhD