Senior ML Scientist — AI-Driven Drug Discovery

Aimlroles; San Francisco (CA); Hybrid; USD 167,000 - 311,000; Full time

Benefits offered by this job

Discretionary annual bonus

Job summary

Genentech seeks a Machine Learning Scientist to design, build, and deploy AI agents for small molecule drug discovery. You will collaborate with medicinal chemists, computational chemists, and experimental researchers to push AI-driven discovery forward.

The role emphasizes building reliable scientific software, contributing publications or open-source projects, and advancing AI methods in drug design. Strong Python and ML framework experience is required.

Qualifications

• PhD or MS/BS with substantial ML/CS or chemistry background.
• Strong Python programming and software engineering skills for reliable scientific software.
• Hands-on experience designing, building, and evaluating AI agents across workflows.

Responsibilities

• Design, build and deploy AI agents for small molecule drug discovery.
• Collaborate with chemists and biologists to test agents in real scenarios.
• Implement and deploy computational tools for drug discovery and AI systems.
• Shape technical direction by identifying high-impact problems and new initiatives.
• Pursue cutting-edge ML research to advance drug discovery.
• Publish findings and share workflows and code.

Skills

Python

AI agents

Communication

Collaboration

Publications/Software contributions

GNNs

Generative models

PyTorch

TensorFlow

Hugging Face

ML fundamentals

Portfolio

Education

PhD in a relevant field

BS/MS with 5+ years

Computational chemistry background

Tools

Claude Agent SDK

LangGraph

Job description

Genentech seeks a Machine Learning Scientist to design, build, and deploy AI agents for small molecule drug discovery. You will collaborate with medicinal chemists, computational chemists, and experimental researchers to push AI-driven discovery forward.

The role emphasizes building reliable scientific software, contributing publications or open-source projects, and advancing AI methods in drug design. Strong Python and ML framework experience is required.