Machine Learning Scientist/Senior Machine Learning Scientist - Agents for Applied Small Molecule Drug Design, AI for Drug Discovery at Genentech

Roche and Genentech are hiring Machine Learning Scientists and Senior Machine Learning Scientists for the Computational Sciences Center of Excellence’s AI for Drug Discovery team. The role develops autonomous, LLM-driven agentic workflows that orchestrate machine-learning models, physics-based methods, and cheminformatics tools for small-molecule drug design, fine-tunes foundation models, optimizes hypotheses with chemists and structural biologists, and contributes to publications and open-source releases. Candidates need a PhD or equivalent research depth, strong machine-learning foundations, Python and modern agentic coding experience, and relevant publications or a public project portfolio. The positions are based in San Francisco or New York City, with relocation benefits not available.