Roche is looking to solve the problem of accelerating drug discovery and development through the use of AI, data, and computational sciences, with a focus on small molecule drug discovery.
Requirements
- PhD in the physical sciences (e.g., Chemistry, Physics, Chemical Engineering) or quantitative fields (e.g., Computer Science, Statistics, Applied Mathematics) with 0 - 3 years experience, or equivalent industry research experience.
- Strong background in scientific software development and ML engineering, with demonstrated ability to design, train, and deploy ML models.
- Experience working with biochemical, chemical, or biophysical datasets; familiarity with cheminformatics and small molecule drug discovery concepts.
- Fluent in Python and experience with modern ML frameworks (e.g., PyTorch, JAX, TensorFlow, Hugging Face)
- Familiarity with commonly used toolkits for chemical modeling (e.g., RDKit, OpenEye, OpenMM, Schrodinger)
- Experience with cloud platforms (AWS, GCP, or Azure), version control (Git), and CI/CD pipelines.
- Record of scientific excellence as evidenced by at least multiple publications in a scientific journal or conference.
Responsibilities
- Design, build, and apply machine learning methods to key challenges in small molecule drug discovery, including molecular property prediction, protein–ligand modeling, chemical reactivity, and synthesizability.
- Develop robust and scalable ML pipelines that integrate with cheminformatics, structural biology, and computational chemistry tools.
- Collaborate with computational chemists, medicinal chemists, structural biologists, and experimental scientists to generate testable hypotheses and guide design decisions.
- Curate, integrate, and leverage diverse biochemical, biophysical, and chemical datasets to power ML models and workflows.
- Explore and apply a range of ML approaches — from deep learning (transformers, graph neural networks) to physics-informed and hybrid methods — for impactful applications in drug discovery.
- Deploy models and workflows into production research environments, ensuring reproducibility and scalability.
- Contribute to and drive publications, present results at internal and external scientific conferences, and help make code and workflows open source.
Other
- 0 - 3 years experience, or equivalent industry research experience.
- Relocation benefits are available for this job posting.
- Genentech is an equal opportunity employer.
- If you have a disability and need an accommodation in relation to the online application process, please contact us by completing this form Accommodations for Applicants.
- A discretionary annual bonus may be available based on individual and Company performance.
