Machine Learning Scientist/Senior Machine Learning Scientist - Synthesis Planning and Optimization, AI for Drug Discovery

- Develop and advance machine learning methods for synthesis-aware molecular design across retrosynthesis, synthesis planning, molecular generation, and search in synthesizable chemical spaces.

- Integrate proprietary reaction and biochemical data to design the next generation of synthesis-aware models and workflows for hit finding and optimisation.

- Build robust, scalable pipelines for active-learning loops that interface directly with automated and high-throughput synthesis platforms.

- Design novel batch synthesis-planning algorithms that maximise chemical-space coverage, information gain and experimental efficiency.

- Drive scientific impact through publications, open-source releases, and conference talks.

- Collaborate widely with computational and experimental researchers at Roche and with academic partners.

- You bring deep machine-learning expertise with a strong foundation in linear algebra, probability and optimization, and hands-on experience in modern machine learning approaches such as graph-neural networks, sequence/language models and reinforcement learning.

- You are familiar with chemistry concepts relevant to synthesis planning and molecular optimisation as well as small molecule data and cheminformatics toolkits such as RDKit or Openeye.

- You are fluent in Python and have experience with modern ML frameworks like PyTorch or JAX as well as scientific software development.

- You hold a PhD or equivalent research depth in machine learning, computational chemistry, chemical engineering or a related quantitative field such as physics or statistics, with up to 2 years of industry research experience (Scientist) or 2+ years of industry research experience (Senior Scientist).

- You have a record of scientific excellence evidenced by journal and conference publications or a public portfolio of relevant projects (e.g. hosted on GitHub/GitLab)..

- Experience with retrosynthesis or synthesis-planning models.

- Experience with automated/high-throughput synthesis.

If designing molecules that move from screen to synthesis to patients excites you, apply now and help build self-driving discovery at Roche.

The expected salary range for this position, based on the primary location of San Francisco, is $147,600 - $274,000 for the ML Scientist, and $167,400 - 310,800 for the Senior ML Scientist. For the primary of location of New York City, $141.100 - $262,100 for the ML Scientist, and $160,100 - 297,300 for the Senior ML Scientist.

Actual pay will be determined based on experience, qualifications, geographic location, and other job-related factors permitted by law. A discretionary annual bonus may be available based on individual and Company performance. This position also qualifies for the benefits detailed at the link provided below.

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Genentech is an equal opportunity employer. It is our policy and practice to employ, promote, and otherwise treat any and all employees and applicants on the basis of merit, qualifications, and competence. The company's policy prohibits unlawful discrimination, including but not limited to, discrimination on the basis of Protected Veteran status, individuals with disabilities status, and consistent with all federal, state, or local laws.

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