Machine Learning Scientist/Senior Machine Learning Scientist - Agents for Applied Small Molecul[...]

Position Overview Machine Learning Scientist / Senior Machine Learning Scientist building agents for applied small‑molecule drug design at Roche’s Computational Sciences Center of Excellence. Responsibilities Design, build, and apply agentic workflows and ML models to address key challenges in small‑molecule drug design. Fine‑tune foundation models for drug‑discovery topics using internal and external datasets and tools. Optimize agent‑derived hypotheses in collaboration with computational and medicinal chemists and structural biologists. Publish scientific results, release open‑source code, and present at conferences. Collaborate broadly with computational and experimental researchers at Roche and with academic partners. Qualifications Experience developing LLM‑driven agents for scientific workflows and orchestrating tools and models reliably. Strong machine‑learning foundations in linear algebra, probability, and optimization; hands‑on experience with GNNs, sequence/language models, and reinforcement learning. Fluency in Python and modern agentic coding environments such as LangChain; proficiency in ML frameworks (PyTorch, JAX) and cheminformatics toolkits (RDKit, OpenEye). Ph.D. or equivalent research depth in machine learning, computer science, chemical engineering, physics, or statistics, with up to 2 years of industry research experience (Scientist) or 2+ years (Senior Scientist). Record of scientific excellence evidenced by journal and conference publications or a public portfolio of relevant projects (e.g., hosted on GitHub or GitLab). Preferred Hands‑on experience orchestrating multi‑tool or multi‑agent scientific pipelines. Experience working along the small‑molecule drug discovery value chain and enthusiasm for collaborating with chemists. Familiarity with structural biology datasets. Employment Terms Relocation benefits are NOT available for this opportunity. Salary ranges are geographic‑specific and will be determined based on experience, qualifications, and other factors permitted by law. A discretionary annual bonus may be available. Equal‑Opportunity Employment Genentech is an equal‑opportunity employer. The company prohibits unlawful discrimination, including on the basis of protected veteran status, disability status, and consistent with all federal, state, or local laws. If you have a disability and need an accommodation in relation to the online application process, please complete the Accommodations for Applicants form. #J-18808-Ljbffr F. Hoffmann-La Roche AG