ML Research Scientist - De Novo Design

Merge Labs is a frontier research lab with the mission of bridging biological and artificial intelligence to maximize human ability, agency and experience. They are seeking a Senior / Principal ML Scientist to design and scale de novo design frameworks that guide molecular engineering campaigns through iterative design–build–test–learn cycles.

Responsibilities:

• Build the scientific and engineering scaffolding in collaboration with data-engineering & MLOps for de novo design and closed-loop optimization, including data ingestion, ML modeling, and library design
• Collaborate with wet-lab scientists to define tractable optimization objectives and encode domain specific priors and constraints
• Prototype de novo design frameworks using internal and public datasets; benchmark and validate model performance
• Integrate ML models with experimental data streams and serve to non-domain experts for model democratization
• Extend ML frameworks to handle multi-objective or constrained optimization problems
• Stay up-to-date with the latest research in de novo design, and prototype novel algorithms that can be deployed to improve the company’s discovery or development workflows
• Contribute to the long-term research roadmap and serve as a thought-leader for scientists