Co-Op, Reaction Prediction & Benchmarking
Core
Develop and evaluate machine learning methods for small molecule design, synthesis, and medicinal chemistry optimization.
Role type
Co-op research engineer (chemistry/AI)
Builds
Benchmarks for reaction prediction models and molecular property predictors
Domain
Chemistry + Machine Learning
Deliverable
research
Required skills
Python, cheminformatics libraries (RDKit), supervised learning, model evaluation metrics
Preferred skills
molecular property prediction, multi-task learning, self-supervised pre-training, model fine-tuning, reaction data formats (SMARTS), reaction databases (Pistachio, Reaxys, SciFinder), organic/medicinal chemistry
Technologies
Python, RDKit
Responsibilities
Plan and execute a Co-Op project in conjunction with the Molecular Intelligence team; build benchmarks to assess reaction prediction models; develop and fine-tune molecular property predictors using project-specific data
Seniority
Co-op (graduate student)