Senior/Principal Machine Learning Scientist, MLDD (Structure, Scoring, and Simulation)

A healthier future. It’s what drives us to innovate. To continuously advance science and ensure everyone has access to the healthcare they need today and for generations to come. Creating a world where we all have more time with the people we love. That’s what makes us Roche.

Advances in AI, data, and computational sciences are transforming drug discovery and development. Roche’s Research and Early Development organisations at Genentech (gRED) and Pharma (pRED) have demonstrated how these technologies accelerate R&D, leveraging data and novel computational models to drive impact. Seamless data sharing and access to models across gRED and pRED are essential to maximising these opportunities. The new Computational Sciences Center of Excellence (CoE) is a strategic, unified group whose goal is to harness the transformative power of data and Artificial Intelligence (AI) to assist our scientists in both pRED and gRED to deliver more innovative and transformative medicines for patients worldwide.

The Opportunity

Prescient Design is developing cutting-edge machine learning for drug discovery, building new methods, techniques, and systems to fundamentally transform how drugs are designed. We are looking for exceptional, experienced machine learning scientists who want to perform high-quality research at the intersection of machine learning and biology that has a direct impact on large molecule drug discovery. The group provides a dynamic and challenging environment for cutting-edge, multidisciplinary research, including access to heterogeneous data sources, close links to top academic institutions around the world, as well as internal Genentech Research and Early Development (gRED) partners and research units. Our mission is to develop and apply methods in designing novel macromolecules. Researchers will primarily focus on the deep learning subfield of machine learning, but should be broadly interested in methods capable of effective representation learning that can help drive and sharpen the research questions we study.

In this role, you will:

• 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

Who you are for the Principal Scientist level

• 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

Who you are for the Senior Scientist level:

• 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.

• 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

Relocation benefits are available for this job posting

The expected salary range for the Principal Scientist, based on the location of California, is $194,000 - 360,400 or for the location of New York is $185,600 - 344600, and for the Sen