Production ML Engineer for AI-Driven Drug Discovery

5AM Ventures; Watertown (MA); On-site; USD 140,000 - 190,000; Full time

Benefits offered by this job

Equity

Health benefits

Paid time off

Professional development

On-site parking

Job summary

5AM Ventures is building a broad pipeline of small molecules driven by advanced computational methods. The role sits at the intersection of machine learning research and experimental teams, focusing on moving cutting-edge models from research to production that scientists can use reliably.

You will own production ML infrastructure, collaborate with chemists and biologists, and shape the technical direction for AI agents and automation. This is a high-impact opportunity with equity potential.

Qualifications

• BS/MS in CS, Chemistry, Physics, Data Science or related field.
• Strong fundamentals: testing, version control, CI/CD.
• Hands-on ML with PyTorch.
• Comfort with molecular concepts; collaborate with scientists.
• Ability to own projects end-to-end.

Responsibilities

• Own and maintain production machine learning infrastructure, ensuring models developed by the research team are robust, maintainable, and deployable.
• Develop computational tools, data pipelines, and machine learning systems that support scientific workflows across chemistry and biology.
• Collaborate closely with chemists and biologists to understand requirements and translate them into effective software solutions.
• Design and build internal AI agents and automation systems, with substantial opportunity to define both the technical direction and user experience.
• Write clean, well‑tested, version‑controlled code and contribute to a strong engineering culture through code review and technical collaboration.

Skills

Machine learning

PyTorch

Software engineering

Communication

Ownership

CI/CD

Education

Bachelor/Master in CS or related

Tools

AWS

MLflow

SQL

Polars

pandas

Ray

scikit-learn

Job description

5AM Ventures is building a broad pipeline of small molecules driven by advanced computational methods. The role sits at the intersection of machine learning research and experimental teams, focusing on moving cutting-edge models from research to production that scientists can use reliably.

You will own production ML infrastructure, collaborate with chemists and biologists, and shape the technical direction for AI agents and automation. This is a high-impact opportunity with equity potential.