Genentech discovers, develops, manufactures and commercializes treatments for patients with serious and life-threatening medical conditions. Backed by North Carolina Biotechnology Center.
About the role
At Roche's AI for Drug Discovery (AIDD) group (Prescient Design), we are revolutionizing drug discovery with cutting-edge machine learning. We are seeking a Principal Machine Learning Engineer to join our Foundation Models team. In this role, you will drive the engineering, scaling, and operationalization of our internal reasoning Large Language Models (LLMs) and agentic systems, enabling them to succeed at complex biomolecular design and autonomous scientific workflows.
What they're looking for
- Engineering Foundation: Exceptional Python programming skills and rigorous software engineering fundamentals (Git, automated testing, CI/CD, documentation, architecture design)
- Deep Learning & Distributed Systems: Extensive hands-on experience with modern deep learning frameworks (PyTorch, JAX) and deploying ML infrastructure on AWS or HPC environments, including distributed training tools
- Agentic Systems: Practical experience designing agent orchestration frameworks (e.g., LangGraph, MCP-based tool integration), managing persistent agent memory, and building self-improving loops
- Domain Interest: Strong passion for applying frontier AI and agentic science to AI for Drug Discovery (AI4DD), biology, and chemistry
- Inference-Time Optimization: Deep expertise in LLM serving, test-time compute, sampling/search strategies, model routing, batching, caching, and latency/cost/quality tradeoffs
- Scientific Context: Experience working with molecular modalities (e.g., protein sequences, chemical graphs, and structured molecular data)
More about this role
A healthier future. It’s what drives us to innovate. To continuously advance science and ensure everyone has access to the healthcare they need today and for generations to come. Creating a world where we all have more time with the people we love. That’s what makes us Roche.
Advances in AI, data, and computational sciences are transforming drug discovery and development. Roche’s Research and Early Development organizations at Genentech (gRED) and Pharma (pRED) have demonstrated how these technologies accelerate R&D, leveraging data and novel computational models to drive impact. Seamless data sharing and access to models across gRED and pRED are essential to maximizing these opportunities. The new Computational Sciences Center of Excellence (CoE) is a strategic, unified group whose goal is to harness the transformative power of data and Artificial Intelligence (AI) to assist our scientists in both pRED and gRED to deliver more innovative and transformative medicines for patients worldwide.
At Roche's AI for Drug Discovery (AIDD) group (Prescient Design), we are revolutionizing drug discovery with cutting-edge machine learning. We are seeking a Principal Machine Learning Engineer...
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