Machine Learning Scientist/Senior Machine Learning Scientist (AI for Drug Discovery)

Location: South San Francisco, California, United States of America; also available in New York City.

Salary: $147,600–$274,000 for the ML Scientist level and $167,400–$310,800 for the Senior ML Scientist level in San Francisco. New York City ranges are $141,100–$262,100 and $160,100–$297,300, respectively.

Company

hirify.global and Roche's Computational Sciences Center of Excellence applies artificial intelligence, data, and computational science to drug discovery and development.

What you will do

• Develop machine learning methods for synthesis-aware molecular design.
• Build models and workflows for retrosynthesis, synthesis planning, molecular generation, and search in synthesizable chemical spaces.
• Integrate proprietary reaction and biochemical data.
• Build robust, scalable pipelines for active-learning loops and automated or high-throughput synthesis.
• Design batch synthesis-planning algorithms and optimize chemical-space coverage, information gain, and experimental efficiency.
• Collaborate with computational and experimental researchers and academic partners, communicating results through publications, open-source releases, and conference talks.

Requirements

• Deep machine learning expertise and hands-on experience with modern approaches such as graph neural networks, sequence or language models, and reinforcement learning.
• Fluency in Python and experience with machine learning frameworks such as PyTorch or JAX.
• Strong foundations in linear algebra, probability, and optimization.
• Familiarity with chemistry, small-molecule data, cheminformatics toolkits such as RDKit or OpenEye, and synthesis-planning models.
• Experience with automated or high-throughput synthesis.
• PhD or equivalent research depth in machine learning, computational chemistry, chemical engineering, physics, statistics, or a related quantitative field, with evidence of scientific excellence.

Culture & Benefits

• Work alongside computational and experimental researchers across Roche and hirify.global.
• Opportunity to contribute to self-driving drug discovery and medicines development.
• Benefits are available for the position.
• Relocation benefits are not available for this opportunity.
• A discretionary annual bonus may be available based on individual and company performance.