AI/Cheminformatics Engineer

About the Role

DigiChem is reshaping how new chemicals are developed and brought to market. Join us if you want to enable the next generation of advanced chemistries powering everything from sustainable energy to AI.

Our Engineering team is developing the most powerful system for synthesizing molecules ever made, leveraging AI and deep integration with physical hardware to perform chemistry on demand and easily scale to manufacturing. In front of it all is an intuitive, beautiful user interface that our customers love to use.

If you love working at the intersection of AI and chemistry to develop cutting-edge software, this could be the role for you

The Job

In this role, you will be responsible for leading the architecture and development of DigiChem's AI cheminformatics stack powering custom synthesis. You'll own model design, data pipelines, and production deployment, partnering closely with synthetic chemists and platform engineers. Your key responsibilities will include:

• Define the end-to-end technical architecture for AI synthesis and process planning
• Translate synthesis planning requirements into technical specs in partnership with our chemists
• Design the data pipeline for molecules, reactions, and procedures
• Build and benchmark models that enable our on-demand chemistry platform
• Package models into production-ready services
• Evaluate and select from open source and commercial tools

You

• Professional experience building and deploying AI agents and cheminformatics systems in production.
• Experience with LLM tool use and RAG
• Strong cheminformatics foundation with tools such as RDKit
• Understanding of chemical process engineering and modeling.
• Practical knowledge of property and reaction datasets.
• Evidence of rigorous evaluation practices and writing design docs.

Nice to Have

• Prior work on retrosynthesis/forward-reaction/condition/yield models.
• Property prediction at scale and descriptor/representation design
• Familiarity with ELN/LIMS integration, reaction normalization, and provenance tracking.
• Publications, open-source contributions, or patents in ML for chemistry or related areas.

Our Benefits

• Medical, dental, and vision insurance
• 401k
• Paid parental leave
• Flexible out of office plan
• Hybrid work schedule
• Commuter benefits
• Latest tools and technologies to support your work

We are an equal opportunity employer and value diversity at our company. We do not discriminate on the basis of race, religion, color, national origin, gender, sexual orientation, age, marital status, veteran status, or disability status.

Even if you don't check every box, but see yourself contributing, please apply.