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Senior/Principal Machine Learning Scientist, AI for Drug Discovery (Structure, Scoring, and Simulation)

Genentech

$160,100 - $360,400
Aug 15, 2025
New York, NY, US
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Roche's Research and Early Development organisations at Genentech (gRED) and Pharma (pRED) need to accelerate R&D by leveraging data and novel computational models. The new Computational Sciences Center of Excellence (CoE) aims to harness the power of data and AI to assist scientists in delivering more innovative medicines. Prescient Design is developing cutting-edge machine learning for drug discovery to transform how drugs are designed, focusing on large molecule drug discovery.

Requirements

  • Ph.D. in Computer Science, Statistics, Applied Mathematics, Computational Biology, Physics, or related disciplines, ideally with 5+ years of industry research experience, or MS degree in the above disciplines ideally with 8+ years of industry research experience.
  • Strong publication record and experience contributing to research communities, including conferences like NeurIPS, ICML, ICLR, AISTATS, UAI, CVPR, ACL, etc.
  • Evidence of scientific independence and accomplishments, including the ability to initiate, develop, and conclude complex projects
  • Strong programming skills in languages like C/C++, Python, Java, Scala, or Go.
  • Experience with one or more of the following: PyTorch, TensorFlow, JAX.
  • Intense curiosity about the biology of disease and the biophysics of molecular recognition
  • Ph.D. in Computer Science, Statistics, Applied Mathematics, Computational Biology, Physics, or related disciplines, ideally with 0-2 years of industry research experience, or MS degree in the above disciplines ideally with 3-5 years of industry research experience.

Responsibilities

  • Develop novel machine learning methods to answer challenging research questions in large molecule drug discovery
  • Work with biological data from heterogenous sources
  • Contribute to and ultimately lead cross-functional teams across gRED to solve complex problems in structural and computational biology
  • Drive publications and present scientific findings at internal/external venues
  • Solve real, pressing problems in drug discovery that enable new portfolio capabilities

Other

  • Relocation benefits are available for this job posting