Senior Machine Learning Research Scientist, Structure and Simulation (AI for Drug Discovery)

Genentech • New York, NY

1d • $160,900 - $298,700

About The Position

The AI for Drug Discovery group (Prescient Design) at Roche is building foundation models and scalable systems to transform the design of large- and small-molecule therapeutics. This role conducts research at the intersection of machine learning, structural biology, and physical sciences to accelerate drug discovery. The scientist will design and train foundation models for large-molecule drug discovery and protein engineering, work with structural biology and biophysical datasets, and collaborate across the Computational Sciences Center of Excellence. The role also includes publishing and presenting research and addressing drug-discovery problems that enable new portfolio capabilities.

Requirements

• Master’s degree in Computer Science, Bioinformatics, Computational Biology, or a related quantitative field, with 5–10 years of industry experience; or a PhD with more than 2 years of industry experience.
• Demonstrated experience with Python and deep learning libraries such as PyTorch and/or JAX.
• Demonstrated experience architecting and training deep learning models, particularly using modern approaches such as multimodal representation learning, geometric deep learning, and diffusion models.
• Expertise in molecular dynamics simulations and classical force fields such as AMBER, CHARMM, or OpenFF.
• Hands-on experience with molecular modeling tools such as OpenMM or Rosetta.
• Demonstrated research experience, including at least one first-author publication or equivalent.
• Strong communication and collaboration skills.
• Public portfolio of computational projects, for example on GitHub.

Responsibilities

• Design and train foundation models at scale to address research questions in large-molecule drug discovery and protein engineering.
• Use structural biology and biophysical datasets to build novel architectures that capture complex geometric and physical priors.
• Contribute to cross-functional research teams across the Computational Sciences Center of Excellence.
• Drive publications and present scientific findings at internal and external venues.
• Solve pressing drug-discovery problems that enable new portfolio capabilities.

Benefits

• The position qualifies for benefits detailed at the linked benefits information.
• A discretionary annual bonus may be available based on individual and Company performance.

What This Job Offers

• Job Type: Full-time
• Career Level: Senior