Senior/Principal Machine Learning Scientist, Structure and Simulation (AI for Drug Discovery)

Responsibilities

• Develop novel machine learning methods to address challenging research questions in large molecule drug discovery
• Work with biological and chemical data from heterogeneous sources
• Contribute to or lead initiatives to consolidate machine learning theory into coherent models for lab-in-the-loop drug discovery
• Perform high-quality research at the intersection of machine learning and biology to drive impact in therapeutic discovery

Requirements

• Degree in computer science or the life/physical sciences (experience levels vary by Senior vs. Principal role)
• Proven experience designing and building machine learning systems, specifically for molecules or biological sequences
• Proficiency in Python and deep learning libraries such as PyTorch, TensorFlow, or JAX
• Familiarity with modern ML research areas including reinforcement learning, sampling, or multimodal representation learning
• Demonstrated research experience, including at least one first-author publication or equivalent
• A portfolio of computational projects (e.g., GitHub)
• Strong communication and collaboration skills

About the Company

Genentech, a member of the Roche group, is a pioneer in the biotechnology industry. We are dedicated to pursuing groundbreaking science to discover and develop medicines for people with serious and life-threatening diseases. Our AI for Drug Discovery (AIDD) group works to transform drug discovery through unified, advanced computational models.