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About the Role
Develop and evaluate machine learning methods supporting small molecule design and synthesis. Pursue a focused research project in either reaction prediction and benchmarking or molecular property prediction for medicinal chemistry optimization. Expected outputs include reproducible data and evaluation workflows, benchmark results, and research recommendations.
Responsibilities
- Plan and execute a Co-Op project in conjunction with the Molecular Intelligence team
Requirements
- Pursuing a graduate degree (MSc, PhD) in Chemistry, Computer Science, Physics, or similar
- Familiarity with chemistry concepts through coursework or research experience
Skills
- Python (data processing, model training, and evaluation)
- Cheminformatics libraries (RDKit or similar)
- Basic machine learning (supervised learning, model evaluation metrics)
- Molecular property prediction
- Multi-task learning
- Self-supervised pre-training
- Model fine-tuning
- Reaction data formats
- Reaction SMARTS
- Reaction databases (e.g., Pistachio, Reaxys, SciFinder)
- Organic chemistry
- Medicinal chemistry
Work Type
- Co-Op
Education Level
- Graduate degree (MSc, PhD)
About the Company
- Lila Sciences is building Scientific Superintelligence™ to solve humankind's greatest challenges.
- LILA believes science is the most inspiring frontier for AI.
- LILA builds systems that can learn for themselves.
- LILA combines advanced AI models with proprietary AI Science Factory™ instruments into an operating system for science that executes the entire scientific method autonomously, accelerating discovery at unprecedented speed, scale, and impact across medicine, materials, and energy.
- Guided by our core values of truth, trust, curiosity, grit, and velocity, we move with startup speed while tackling problems of historic importance.
Equal Opportunity
- Lila Sciences is committed to equal employment opportunity regardless of race, color, ancestry, religion, sex, national origin, sexual orientation, age, citizenship, marital status, disability, gender identity or Veteran status.