Machine Learning Scientist - Quantum Chemistry

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.

Responsibilities

• 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.
• Build synthetic datasets using quantum mechanics and related methods to shape novel research directions in ML.
• Develop deployable pipelines that are...