AI Agents Engineer Molecule Discovery

Industry:

Company: Eli Lilly and Company

At Lilly, we unite caring with discovery to make life better for people around the world. We are a global healthcare leader headquartered in Indianapolis, Indiana. Our employees around the world work to discover and bring life-changing medicines to those who need them, improve the understanding and management of disease, and give back to our communities through philanthropy and volunteerism. We give our best effort to our work, and we put people first. We’re looking for people who are determined to make life better for people around the world.

Actual compensation will depend on a candidate’s education, experience, skills, and geographic location. The anticipated wage for this position is
$63,000 – $92,400

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).

Lilly is dedicated to helping individuals with disabilities to actively engage in the workforce, ensuring equal opportunities when vying for positions. If you require accommodation to submit a resume for a position at Lilly, please complete the accommodation request form (https://careers.lilly.com/us/en/workplace-accommodation) for further assistance. Please note this is for individuals to request an accommodation as part of the application process and any other correspondence will not receive a response.

Lilly is an EEO/Affirmative Action Employer and does not discriminate on the basis of age, race, color, religion, gender, sexual orientation, gender identity, gender expression, national origin, protected veteran status, disability or any other legally protected status.

Our employee resource groups (ERGs) offer strong support networks for their members and help our company develop talented individuals for future leadership roles. Our current groups include: Africa, Middle East, Central Asia Network, African American Network, Chinese Culture Network, Early Career Professionals, Japanese International Leadership Network (JILN), Lilly India Network, Organization of Latinos at Lilly, PRIDE (LGBTQ + Allies), Veterans Leadership Network, Women’s Network, Working and Living with Disabilities. Learn more about all of our groups.

Full-time equivalent employees also will be eligible for a company bonus (depending, in part, on company and individual performance). In addition, Lilly offers a comprehensive benefit program to eligible employees, including eligibility to participate in a company-sponsored 401(k); pension; vacation benefits; eligibility for medical, dental, vision and prescription drug benefits; flexible benefits (e.g., healthcare and/or dependent day care flexible spending accounts); life insurance and death benefits; certain time off and leave of absence benefits; and well-being benefits (e.g., employee assistance program, fitness benefits, and employee clubs and activities).Lilly reserves the right to amend, modify, or terminate its compensation and benefit programs in its sole discretion and Lilly’s compensation practices and guidelines will apply regarding the details of any promotion or transfer of Lilly employees.

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