Senior Quantum Chemistry ML Scientist – Drug Discovery

Roche Products Ltd. is seeking a Machine Learning Scientist to join the AI for Drug Discovery team within the Computational Sciences Center of Excellence.

You will combine ML with quantum chemistry to build fast, accurate models for small‑molecule research and collaborate with world‑class computational and experimental scientists. Applicants should have deep ML knowledge, experience with quantum chemistry toolkits (Psi4, PySCF, ORCA) and Python-based ML frameworks (PyTorch, JAX).

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