Post Doc Scientist, Structural Biology and Chemistry
Core
Postdoctoral researcher supporting the Structural Biology and Chemistry department by applying AI/ML to small molecule drug discovery.
Role type
Postdoctoral Scientist (AI/ML for Drug Discovery)
Builds
AI/ML models and methods for hit identification, hit-to-lead, and lead optimization in small molecule drug discovery.
Domain
Biopharma / Computational Chemistry / Machine Learning
Deliverable
production ML models
Required skills
Machine learning architectures for chemistry, Python programming, ML frameworks, model validation strategies, uncertainty quantification, cheminformatics toolkits (RDKit, OpenEye, Schrodinger)
Preferred skills
Experience with virtual screening methods (Active Learning, Thompson Sampling), expertise in heterobifunctional degrader property prediction
Technologies
Python, RDKit, OpenEye, Schrodinger, Active Learning, Thompson Sampling
Responsibilities
Evaluate and analyze AI tools and ML models for drug discovery stages; Implement and analyze methods for virtual screening of ultra-large libraries; Investigate feasibility of ML models to predict properties of heterobifunctional degraders
Seniority
Postdoctoral (0+ years experience)
