Senior ML Scientist: AI-Driven Small-Molecule Design

Genentech; San Francisco (CA); On-site; USD 148,000 - 274,000; Full time

Benefits offered by this job

Discretionary annual bonus

Job summary

Genentech seeks a Machine Learning Scientist to develop autonomous, LLM-driven agents for small-molecule drug design. You will orchestrate ML models, physics methods, and cheminformatics tools alongside world-class chemists and biologists.

You will refine foundation models, drive scientific impact through publications and open-source work, and collaborate widely with computational researchers at Roche and Genentech.

Qualifications

• PhD or equivalent in machine learning, computer science, chemical engineering or related quantitative field.
• Hands-on experience developing LLM-driven agents for scientific workflows.
• Proficiency with ML frameworks and cheminformatics toolkits.

Responsibilities

• Design, build, and apply agentic workflows and ML models for small-molecule drug design challenges.
• Fine-tune foundation models for drug discovery topics using internal/external datasets and tools.
• Optimize agent-derived hypotheses with chemists and biologists.
• Publish publications, open-source releases, and present at conferences.
• Collaborate widely with Roche Genentech researchers and academic partners.

Skills

LLM-driven agents

Python

LangChain

PyTorch

JAX

RDKit

OpenEye

Education

PhD or equivalent in ML/CS/chemical engineering or related field

Tools

LangChain

PyTorch

JAX

RDKit

OpenEye

Job description

Genentech seeks a Machine Learning Scientist to develop autonomous, LLM-driven agents for small-molecule drug design. You will orchestrate ML models, physics methods, and cheminformatics tools alongside world-class chemists and biologists.

You will refine foundation models, drive scientific impact through publications and open-source work, and collaborate widely with computational researchers at Roche and Genentech.