Job posting: AI Agents Engineer Molecule Discovery, Lilly, Indianapolis/San Diego

Via C&EN Jobs, this interesting position: 

The Discovery Chemistry Research and Technologies (DCRT) organization within Lilly Research Labs is a small-molecule drug discovery organization with responsibilities spanning target identification to candidate selection for clinical studies. We are looking to grow our diverse team of scientists.

Position Summary

We seek a motivated researcher with expertise in Large Language Models and an interest in planning and decision-making algorithms to join Lilly’s Discovery Chemistry Research and Technologies (DCRT) organization. You will evaluate commercial and open-source AI agentic platforms to determine their applicability and effectiveness in optimizing chemistry and bioinformatics workflows. Your work will accelerate our medicine discovery processes by identifying and integrating the most suitable AI tools.

This position offers the opportunity to work at the forefront of AI-driven drug discovery, collaborating with experts across AI@Lilly and Tech@Lilly. Your efforts will directly impact the development of life-changing medicines.

Key Responsibilities

• Assess and compare commercial and open-source AI agent frameworks for optimizing chemistry and bioinformatics workflows
• Contribute to engineering systems that enable cross-disciplinary agentic system development
• Collaborate with cross-functional teams to integrate selected AI agent frameworks into existing workflows.

Basic Qualifications

• BS/MS in Computer Science, Computational Chemistry, Bioinformatics, Engineering or a related field
• Familiarity with agent-based modeling and agentic frameworks in scientific domains
• Demonstrated experience in LLM engineering through coursework and portfolio projects
• Familiarity with developing on cloud computing platforms (e.g., AWS, Azure)

Additional Skills/Preferences

• Proven experience with training, fine-tuning, and deploying large-scale transformer-based models.
• Understanding of chemistry or bioinformatics multi-modal data
• Experience deploying AI-based chemistry workflows (e.g., REINVENT, chemprop, etc).