Eli Lilly

CADD Postdoctoral Scientist

Eli Lilly • $58K — $123K *
Indianapolis, IN 46227In-Person
Pharmaceuticals & Biotech
Less than 5 years of experience
1 month ago
Job Overview by Ladders

Qualifications

  • PhD in Computational Chemistry, Computer Science, or related field.
  • Strong background in CADD and structure-based drug design.
  • Experience with fragment-based drug discovery concepts.
  • Proficiency in Python and cheminformatics tools like RDKit.
  • Proficiency in DL/ML methods for binding prediction or molecular design.
  • Ability to work with large chemical libraries and computational workflows.
  • Must be authorized to work full-time in the U.S.

Responsibilities

  • Develop and apply synth(on)-fragment-based virtual screening methods for small-molecule hit discovery.
  • Design fragment growth, linking, and merging strategies constrained by synthetic feasibility.
  • Integrate structure-based modeling with reaction-aware generative designs.
  • Prioritize compounds balancing binding potential, chemical diversity, and synthetic accessibility.
  • Collaborate with medicinal chemists, fragment scientists, and screening teams for rapid validation.
  • Apply workflows to novel EMD targets, including difficult binding sites.

Benefits

  • Contribute to high-priority small-molecule discovery programs.
  • Help define scalable, synthesis-aware virtual screening strategies.
  • Work in a collaborative, multidisciplinary AI-driven environment.
  • Access industry-leading compute, data, and experimental platforms.
Full Job Description
Eli Lilly and Company | EMD C3 - Early Molecule Discovery

Position Overview

Eli Lilly's EMD C3 (Computational Chemistry & Cheminformatics) group is seeking a Postdoctoral Scientist to advance Synth(on)-Fragment-based Virtual Screening (SFBVS) for early small-molecule drug discovery. This role focuses on developing synthesis-aware virtual screening workflows that connect fragment-level binding hypotheses to synthesizable chemical space, lowering barriers to synthesis and accelerating hit discovery.

The position offers a unique opportunity to work at the intersection of AI, structure-based drug design, fragment chemistry, and synthesis, contributing directly to Lilly's next-generation virtual screening capability.

Key Responsibilities
  • Develop and apply synth(on)-fragment-based virtual screening methods for small-molecule hit discovery.
  • Design fragment growth, linking, and merging strategies constrained by real-world synthetic feasibility.
  • Integrate structure-based modeling (docking, scoring, ML/DL affinity prediction) with reaction-aware generative designs.
  • Prioritize compounds that balance binding potential, chemical diversity, and synthetic accessibility.
  • Collaborate closely with medicinal chemists, fragment scientists, and screening teams to enable rapid experimental validation.
  • Apply workflows to novel and challenging EMD targets, including difficult or underexplored pockets.

Basic Qualifications
  • PhD in Computational Chemistry, Computer Science, or a related field.
  • Strong background in CADD and structure-based drug design.
  • Experience with fragment-based drug discovery concepts.
  • Proficiency in Python and familiarity with cheminformatics tools (e.g., RDKit).
  • Proficiency in DL/ML methods for binding prediction or molecular design.
  • Ability to work with large chemical libraries and computational workflows.
  • Qualified applicants must be authorized to work in the United States on a full-time basis. Lilly will not provide support for or sponsor work authorization or visas for this role, including but not limited to F-1 CPT, F-1 OPT, F-1 STEM OPT, J-1, H-1B, TN, O-1, E-3, H-1B1, or L-1.


Preferred Qualifications
  • Experience with synth(on)- or reaction-based chemical libraries.
  • Familiarity with synthetic accessibility scoring, retrosynthesis, or reaction rule systems.
  • Experience collaborating with medicinal chemistry teams.
  • Strong collaboration and scientific communication skills.


Why Join Lilly EMD C3
  • Contribute directly to high prioritity small-molecule discovery programs.
  • Help define scalable, synthesis-aware virtual screening strategies.
  • Work in a highly collaborative, multidisciplinary AI-driven environment.
  • Access industry-leading compute, data, and experimental platforms.


Additional Information:
  • The position is located at Seaport. Innovation Center, Boston.
  • Onsite working model.
  • This position is not permanent. It is for a fixed term position up to a maximum of 4 years.

Actual compensation will depend on a candidate's education, experience, skills, and geographic location. The anticipated wage for this position is
$58,000 - $123,200

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.

#WeAreLilly

About Eli Lilly

ICOS Corporation is a biotechnology company that engages in the discovery, development, and commercialization of therapeutic products. It is engaged in the commercialization of treatments for unmet medical conditions, such as benign prostatic hyperplasia, hypertension, pulmonary arterial hypertension, cancer, and inflammatory diseases. It is the developer of a treatment known as Cialis (tadalafil), a product for the treatment of erectile dysfunction through its joint venture with Eli Lilly and Company in North America and Europe. It is also engaged in contract manufacturing services for third parties. It is in a strategic alliance with Solvay Pharmaceuticals, Inc. ICOS Corporation was established in 1989, based in Bothell, Washington. It is currently operated by Eli Lilly and Company.

Eli Lilly Careers

Joining Eli Lilly offers an unparalleled opportunity to become part of a leading global team dedicated to creating a healthier future. As a company revered for its commitment to innovation and leadership in the pharmaceutical industry, Eli Lilly is where your professional journey can flourish. Work You’ll Do At Eli Lilly, we are passionate about transforming patient care and advancing medical innovation. Our team at Eli Lilly is at the forefront of developing groundbreaking solutions in healthcare. By joining us, you will collaborate with some of the brightest minds in the industry, using cutting-edge technology to make real-world impacts. Lead with Innovation and Leadership Eli Lilly stands out in the marketplace by integrating deep industry expertise with robust research and development efforts. We are looking for professionals who are eager to drive change and lead the way in developing therapeutic breakthroughs. Explore Job Opportunities and Growth Eli Lilly offers a variety of career paths, including full-time positions and internships, across multiple functions such as research, marketing, IT, and sales. Whether you are a seasoned professional or a recent graduate, Eli Lilly provides an environment that promotes career growth and learning opportunities. Our commitment to diversity and leadership training ensures that every employee can achieve their potential. Be Part of Our Team Our team at Eli Lilly is committed to excellence and driven by a mission to improve lives. Employees enjoy a supportive culture that values collaboration, creativity, and diversity. We believe that a diverse workforce fosters innovation and helps us better connect with the communities we serve. Benefits and Culture Eli Lilly is dedicated to supporting our employees, offering competitive benefits, wellness programs, and comprehensive health care. Our culture is built on a foundation of respect, integrity, and quality, making Eli Lilly not just a great place to work, but a community to grow with. Networking and Professional Development Eli Lilly encourages continuous professional development and networking. With access to various training programs and mentorship opportunities, employees can enhance their skills and advance their careers. Our leadership is committed to nurturing talent through effective training and development strategies. Join Our Team Discover the exciting job opportunities at Eli Lilly by exploring open positions that match your skills and interests. We are continuously hiring and looking for individuals who are passionate, innovative, and ready to contribute to our mission of making life better for people around the globe. Stay Connected Keep up to date with the latest at Eli Lilly by following our careers blog. Gain insights from industry leaders and get tips on everything from crafting the perfect resume to preparing for your interview. Eli Lilly is not just a company—it's a place where you can make a difference. Explore the positions available and find out how your talents can help change the world. SEARCH ELI LILLY JOBS Stay ahead in your career with Eli Lilly, where innovation, leadership, and a commitment to diversity and growth lead the way to future advancements.
Learn more about Eli Lilly
Size
35,000 employees
Market Cap
$344.2 billion
Industry
Pharmaceuticals & Biotech
Net Income
$6.1 billion
Founded
1876
5 Year Trend
+5.9%
Revenue
$24.5 billion
NASDAQ
LLY
* Ladders Estimates

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