Machine Learning Scientist - Quantum Chemistry
Roche · Switzerland
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- Company
- Roche
- Location
- Switzerland
- Employment type
- Full-time
- Posted
- June 30, 2026
About this job
The Position Join the small-molecule team within AI for Drug Discovery (AI4DD), formerly Prescient Design, at Roche and Genentech’s Computational Sciences Center of Excellence as a Machine Learning Scientist / Senior Machine Learning Scientist in Quantum Chemistry. You will combine machine learning methods and quantum chemistry to build fast, accurate models that power small-molecule drug discovery. You will work with world-class computational and experimental scientists and leverage proprietary datasets and state-of-the-art compute. The Opportunity Create cutting-edge solutions that combine quantum chemistry and machine learning algorithm development to model small-molecule energetics and protein–ligand interactions, from conformation and reactivity to binding affinity and free energy.…
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