Lila Sciences
Co-Op, Reaction Prediction & Benchmarking
Cambridge, MA USA +4 · Internship · Posted Oct 26, 2026
- Location
- Cambridge, MA USA
San Francisco, CA USA
Alewife, Cambridge, MA
One Charles Park, Cambridge, MA
San Francisco, CA - Education
- Pursuing a graduate degree (MSc, PhD) in Chemistry, Computer Science, Physics, or similar.
About the job
Conduct a focused research project developing or evaluating machine-learning methods for reaction prediction, benchmarking, or molecular property prediction for medicinal chemistry.
What you'll do
- Plan and execute a co-op project with the Molecular Intelligence team.
- Develop reproducible data and evaluation workflows, benchmarks, and research recommendations.
- Build benchmarks for reaction prediction and plausibility, or develop and fine-tune molecular property predictors using project-specific data.
What they ask for
- Pursuing a graduate degree (MSc, PhD) in Chemistry, Computer Science, Physics, or similar.
Nice to have
- Python for data processing, model training, and evaluation; familiarity with cheminformatics libraries such as RDKit.
- Basic machine learning and chemistry familiarity; relevant experience with molecular property prediction, reaction data, or organic or medicinal chemistry.
Tools
Python, RDKit, reaction SMARTS, Pistachio, Reaxys, SciFinder
AI focus
Develop and evaluate machine-learning methods for reaction prediction, reaction benchmarking, and molecular property prediction; potential work includes model fine-tuning and informing future model development.
Model-written summary · the original posting is authoritative