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Lilly Advisor - Computational Chemistry in San Francisco, California

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.

DICE Therapeutics, a wholly owned subsidiary of Eli Lilly & Co., is an organization within Lilly Research Labs, a small molecule drug discovery organization with responsibilities spanning from target identification to candidate selection for clinical studies. We are looking to grow our diverse team of scientists. The Computational Chemistry and Cheminformatics (C3) group in DICE is seeking a drug hunting expert with experience applying advanced computational technologies to real-world molecular design, who can operate across the computational and medicinal chemistry fields to make our drug discovery engine faster and more powerful.

Apply now to join our team as a Computational Chemist and drive innovation in drug discovery!


  • Lead the computational chemistry team at DICE. Oversee the strategic implementation of computational methods for Medicinal Chemistry Projects, both established and new.

  • Work to improve the computational skills of DICE scientists. Help build and implement a strategy to use computational tools in the medchem space. Mentor scientific staff and contribute to their scientific and career development.

  • Implement generative design and other forward-looking approaches to the design of novel pharmaceuticals

  • Design complex molecules and predict their properties using ground breaking technologies integrating structural, chemical and biological data

  • Contribute to the strategy and execution of small molecule drug discovery programs, working closely with cross-functional project teams in a matrix environment

  • Champion and promote the use of computational chemistry and cheminformatics methods to expedite the Design-Make-Test-Analyze discovery cycle.

  • Innovate and implement new technologies to accelerate and improve small molecule design

  • Identify and assess emerging computational methodologies, including AI/ML, and contribute to the scientific development direction for the group.

Basic Qualifications

  • Ph.D. in Computational Chemistry, Computational Medicinal Chemistry or related field

  • 8-10+ years of experience

Additional Skills/Preferences

  • Familiarity with the fundamental concepts of organic chemistry, medicinal chemistry, and ADME

  • Forward-looking approach to drug discovery, with an eye toward closed-loop design

  • High-level proficiency in scripting or programming languages such as Python

  • Proficiency in programming computational workflows in Knime or equivalent

  • Extensive expertise with molecular design software tools

  • Strong oral and written communication skills, organizational and leadership capabilities.

  • Ability to work in a Linux/Unix enterprise environment

  • Authorship on peer-reviewed publications and/or inventorship on patents/patent applications.

Eli Lilly and Company, Lilly USA, LLC and our wholly owned subsidiaries (collectively “Lilly”) are committed to help individuals with disabilities to participate in the workforce and ensure equal opportunity to compete for jobs. If you require an accommodation to submit a resume for positions at Lilly, please email Lilly Human Resources ( ) for further assistance. Please note This email address is intended for use only to request an accommodation as part of the application process. Any other correspondence will not receive a response.

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