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Genentech

Machine Learning Research Scientist/Senior - Structure and Simulation

2w

Genentech

US · Full-time · $141,100 – $168,100

About this role

Advances in AI, data, and computational sciences are transforming drug discovery and development. Roche’s gRED and pRED organizations leverage data and novel computational models to accelerate R&D. The Computational Sciences Center of Excellence harnesses data and AI to deliver innovative medicines worldwide.

At Roche's AI for Drug Discovery group (Prescient Design), we build state-of-the-art foundation models and scalable systems to transform large and small molecule therapeutic design. Exceptional machine learning scientists perform high-quality research at the intersection of machine learning, structural biology, and physical sciences. This directly accelerates drug discovery.

Team members design and train foundation models at scale using massive structural biology and biophysical datasets. They build novel architectures capturing complex geometric and physical priors. Daily work solves pressing problems in large-molecule drug discovery and protein engineering.

Join cross-functional research teams across the Computational Sciences Center of Excellence. Contribute to and drive publications at internal and external venues. Enable new portfolio capabilities through impactful scientific findings.

Requirements

  • PhD degree in Computational Biology, Computer Science, Chemistry, Physics or related disciplines, with up to 2 years of industry research experience (Scientist) or 2+ years (Senior Scientist)
  • Demonstrated experience with Python and deep learning libraries such as PyTorch and/or JAX
  • Demonstrated experience architecting and training deep learning models, particularly utilizing modern approaches (e.g., multimodal representation learning, geometric deep learning, and diffusion models)
  • Expertise in molecular dynamics simulations and classical force fields (e.g., AMBER, CHARMM, OpenFF), as well as hands-on experience with molecular modeling tools (e.g., OpenMM, Rosetta)
  • Demonstrated research experience, including at least one first author publication (or equivalent)
  • Strong communication and collaboration skills
  • Public portfolio of computational projects (available on e.g. GitHub)

Responsibilities

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

Benefits

  • Expected salary range for ML Scientist (New York): $141,100 - 262,100
  • Expected salary range for Senior ML Scientist (New York): $160,900 - 298,700