Computational Scientist Rdkit Jobs in Clark, NJ (NOW HIRING)

Job Summary:
Genentech is committed to innovating healthcare through advanced science and technology. They are seeking a Machine Learning Scientist/Senior Machine Learning Scientist to develop machine learning methods for synthesis-aware molecular design, integrating data to enhance drug discovery processes.
Responsibilities:
• 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.
Qualifications:
Required:
• Deep machine-learning expertise with a strong foundation in linear algebra, probability and optimization.
• Hands-on experience in modern machine learning approaches such as graph-neural networks, sequence/language models and reinforcement learning.
• Familiarity with chemistry concepts relevant to synthesis planning and molecular optimisation.
• Experience with small molecule data and cheminformatics toolkits such as RDKit or Openeye.
• Fluency in Python.
• Experience with modern ML frameworks like PyTorch or JAX.
• Experience in scientific software development.
• PhD or equivalent research depth in machine learning, computational chemistry, chemical engineering or a related quantitative field such as physics or statistics.
• Record of scientific excellence evidenced by journal and conference publications or a public portfolio of relevant projects (e.g. hosted on GitHub/GitLab).
Preferred:
• Experience with retrosynthesis or synthesis-planning models.
• Experience with automated/high-throughput synthesis.
Company:
Genentech is a biotechnology research company that specializes in genetic testing and personalized medicines. Founded in 1976, the company is headquartered in South San Francisco, USA, with a team of 10001+ employees. The company is currently Late Stage.