ML Scientist, Synthesis-Driven Drug Discovery

F. Hoffmann-La Roche AG; South San Francisco (CA); On-site; USD 167,000 - 311,000; Full time

Job summary

Genentech, a member of the Roche group, is hiring for a Machine Learning Scientist / Senior Machine Learning Scientist in Synthesis Planning and Optimization within the AI for Drug Discovery initiative. You will develop ML methods for synthesis-aware molecular design, connect retrosynthesis and automated synthesis, and drive scalable pipelines for active learning with high-throughput systems.

You should have deep ML expertise, experience with graph neural networks, sequence models, and

Qualifications

• PhD or equivalent in ML, computational chemistry, chemical engineering or related quantitative field.
• Hands-on experience with modern ML approaches (GNNs, sequence models, RL).
• Familiarity with cheminformatics tools such as RDKit or OpenEye.

Responsibilities

• Develop ML methods for synthesis-aware molecular design across retrosynthesis, planning, generation and search.
• Build scalable pipelines for active-learning loops interfacing with automated/high-throughput synthesis.
• Collaborate with computational and experimental researchers and publish results.

Skills

Graph neural networks

Sequence models

Reinforcement learning

Python

Education

PhD or equivalent

Tools

RDKit

OpenEye

Job description

Genentech, a member of the Roche group, is hiring for a Machine Learning Scientist / Senior Machine Learning Scientist in Synthesis Planning and Optimization within the AI for Drug Discovery initiative. You will develop ML methods for synthesis-aware molecular design, connect retrosynthesis and automated synthesis, and drive scalable pipelines for active learning with high-throughput systems.

You should have deep ML expertise, experience with graph neural networks, sequence models, and