Small Molecule Ai Engineer Intern-advanced Intelligence And Research

Lilly

Indianapolis, Indiana, US
Design, build, deploy ai/ml models
Accelerate small molecule drug discovery
Deep learning, generative ai, llm-powered solutions
We are seeking an AI Engineer Intern to design, build, and deploy AI/ML models and intelligent systems that accelerate small molecule drug discovery — from hit identification and lead optimization through to candidate selection

Job Summary

  • We are seeking an AI Engineer Intern to design, build, and deploy AI/ML models and intelligent systems that accelerate small molecule drug discovery — from hit identification and lead optimization through to candidate selection.
  • You will work alongside medicinal chemists, computational chemists, and DMPK scientists to develop and productionize deep learning, generative AI, and LLM-powered solutions that extract insights from compound activity, structure, and ADMET data.
  • This role sits at the heart of our computational chemistry ecosystem, applying AI to connect experimental data, predictive models, and public chemical databases into intelligent workflows that enable faster, smarter molecule design.

Matching Summary

We are seeking an AI Engineer Intern to design, build, and deploy AI/ML models and intelligent systems that accelerate small molecule drug discovery — from hit identification and lead optimization through to candidate selection.

Skills & Requirements

Must-have

  • design, build, deploy AI/ML models
  • accelerate small molecule drug discovery
  • deep learning, generative AI, LLM-powered solutions
  • molecular property prediction
  • de novo molecule generation
  • Python, PyTorch, TensorFlow
  • RDKit, NumPy, pandas, scikit-learn

Nice-to-have

  • work alongside medicinal chemists
  • computational chemistry ecosystem
  • connect experimental data
  • faster, smarter molecule design
  • Hugging Face or molecular generative models
  • chemistry literature and patents

Key Requirements

  • Bachelor’s or Master’s degree
  • Ph.D. preferred
  • Understanding of small molecule drug discovery workflows
  • Working understanding of chemical representations
  • Proficiency in Python
  • Experience with Git/GitHub workflows
  • familiarity with SQL and cloud-based AI platforms

Work Rights

Not specified

Tailored Resume

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