Thesis Work, 30 Credits - Advancing AI for Drug Discovery with MolecularAI at AstraZeneca
Core
Master's thesis project developing state-of-the-art machine learning, molecular simulation, and data science methods for drug discovery.
Role type
Master's thesis researcher (AI for drug discovery)
Builds
Open-source platforms (ReInvent, AiZynthFinder, Maize) and novel AI models for molecular design, synthesis planning, and simulation.
Domain
Biopharmaceuticals / Cheminformatics / Artificial Intelligence
Deliverable
production ML models
Required skills
Python programming, machine learning, algorithms, computer science, cheminformatics
Preferred skills
chemistry, quantum chemistry, reinforcement learning, deep learning architectures
Technologies
Python, machine learning, molecular simulation, agentic AI, flow matching, multi-modal learning
Responsibilities
Develop and improve AI models for molecular property prediction, synthesis planning, and simulation; collaborate with experimental and computational chemistry teams.
Seniority
Master's student (Thesis Worker)
