DigiChem · 16 hours ago
AI/Cheminformatics Engineer
NYC Metro Area
Full-time
Hybrid
Senior Level
$140K/yr - $200K/yrDigiChem is reshaping how new chemicals are developed and brought to market. In this role, you will be responsible for leading the architecture and development of DigiChem’s AI cheminformatics stack powering custom synthesis, collaborating closely with synthetic chemists and platform engineers.
Chemicals
Responsibilities
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
Qualification
Required
Professional experience building and deploying AI agents in production
Experience with LLM tool use, RAG, and context engineering
Strong cheminformatics foundation
Proficient with Typescript and Python
Evidence of rigorous evaluation practices and writing design docs
Preferred
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
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
Company
DigiChem
DigiChem is a digital platform for custom chemical synthesis of specialty materials.
Founded in 2024
2-10 employees
Funding
Current Stage
Early StageCompany data provided by crunchbase