About The Position

The Principal Scientist will help architect end-to-end computational drug discovery at Roche’s AI for Drug Discovery group within the Computational Sciences Center of Excellence. The role focuses on turning machine-learning capabilities into scalable, operationalized standard operating procedures (SOPs) and automated workflows that scientists and portfolio teams can use and trust across Genentech Research and Early Development (gRED) and Pharma Research and Early Development (pRED). The goal is to connect models, data, and discovery processes through unified, modular, reproducible, and agentic-ready computational systems. The successful candidate will combine scientific credibility with engineering and strategic expertise. They will work with modeling teams, platform engineering, centralized data infrastructure, portfolio teams, and other stakeholders to move research-stage models into production-ready workflow components and drive adoption of shared standards. They will also lead and mentor engineers and scientists in workflow design, automation, and computational architecture.

Requirements

  • PhD in Computer Science, Computational Biology, Bioinformatics, or a related field, or equivalent advanced experience (8+ years building computational systems).
  • Deep expertise in workflow orchestration, data pipeline design, and software architecture, beyond machine learning alone.
  • Proven experience designing systems that integrate heterogeneous data sources, models, and processes at scale.
  • Strong proficiency in Python and modern machine-learning frameworks such as PyTorch, TensorFlow, or JAX.
  • Understanding of software engineering practices, including version control, testing, documentation, and CI/CD pipelines.
  • Demonstrated experience at the intersection of computational methods and experimental biology.
  • Understanding of drug discovery workflows and how to design usable systems that address scientists’ needs and workflow handoffs.
  • Track record of translating research code into production systems used by real teams.
  • Experience working across technical and non-technical stakeholders, including biology, chemistry, and engineering.
  • Proven ability to lead complex, cross-functional initiatives involving multiple teams and organizations.
  • Track record of driving adoption of new standards, tools, or processes in larger organizations.
  • Strong communication skills, including explaining complex technical concepts to diverse audiences and building consensus.
  • First-author publications or equivalent evidence of research contributions.
  • Ability to design systems for reliability, debuggability, and adoption, and to balance scientific rigor with pragmatic engineering constraints.

Nice To Haves

  • Familiarity with workflow tools such as Nextflow, Snakemake, Airflow, or similar.

Responsibilities

  • Design computational workflow architecture that operationalizes modular machine-learning components into scalable, reproducible, and agentic-ready systems.
  • Lead development and standardization of SOPs for model integration, data pipelines, and workflow execution across gRED and pRED.
  • Partner with Roche platform engineering teams to implement workflows at scale.
  • Architect data integration with Roche’s centralized data infrastructure (DDC) to enable seamless model-data-workflow loops.
  • Collaborate with the modeling team to translate research-stage models into production-ready components with clear interfaces, performance benchmarks, and failure modes.
  • Align portfolio teams, platform organizations, and technology development groups on standards and drive adoption.
  • Lead and mentor engineers and scientists on workflow design, automation best practices, and computational architecture.

Benefits

  • A discretionary annual bonus may be available based on individual and Company performance.
  • The position qualifies for company benefits detailed at the link provided in the job posting.

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What This Job Offers

Job Type

Full-time

Career Level

Principal

Education Level

Ph.D. or professional degree

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