Principal Engineer, Research Platform Autonomy

Location: New York, NY (Hybrid)

Compensation: $250,000 - $600,000 + variable bonus & benefits

The Opportunity

StaffRight Associates is sourcing for our client an exceptionally, elite and talented Software Engineer to join a world-class interdisciplinary research organization dedicated to pushing the boundaries of computational science and drug discovery. This role is part of a high-impact initiative to design and implement autonomous agentic systems and Retrieval-Augmented Generation (RAG) frameworks that bridge the gap between cutting-edge generative AI and complex scientific software.

You will work at the intersection of machine learning, systems engineering, and molecular biology, building the intelligence layer that accelerates scientific breakthroughs. This is a unique chance to work with proprietary high-performance computing (HPC) architectures and massive-scale biological datasets to solve real-world problems with global significance.

Key Responsibilities

• Agentic System Architecture: Design and deploy production-scale multi-agent workflows capable of autonomous planning, tool utilization, and self-correction to assist in drug discovery and molecular modeling.

• RAG & Knowledge Integration: Build sophisticated retrieval systems that ground LLMs in deep scientific literature, experimental data, and internal proprietary datasets.

• ML Infrastructure & Data Loops: Develop intelligent data workflows and feedback loops to improve the efficiency of training and fine-tuning machine learning models for scientific domains.

• Full Lifecycle Engineering: Own the development cycle from initial conceptualization and rapid prototyping to production-grade deployment within a high-performance environment.

• Scientific Tooling: Integrate AI agents with specialized scientific software and machine learning research tools to increase the productivity of chemists, biologists, and ML researchers.

Required Technical Skills

• Core Engineering: Expert-level proficiency in Python and a strong track record of designing robust, scalable software systems and infrastructure.

• AI/LLM Specialization: Practical experience building and deploying Agentic AI systems, including expertise in:

  • Multi-agent orchestration (e.g., LangGraph, AutoGen, CrewAI, or custom state-machine logic).

  • Tool-use/Function-calling patterns and complex workflow automation.

  • Advanced RAG patterns (semantic search, vector databases, and hybrid retrieval).

• System Design: Proficiency in building and maintaining distributed systems, asynchronous messaging, and high-throughput data pipelines.

• MLOps: Experience with the full ML lifecycle, including model evaluation, monitoring, and performance optimization (e.g., PyTorch, JAX, or similar).

Desired Qualifications

• Intellectual Versatility: A demonstrated history of technical achievement and the ability to pivot between systems engineering and applied AI research.

• Scientific Interest: While a background in biology or chemistry is not required, a strong interest in applying software engineering to complex research problems is highly valued.

• Infrastructure: Familiarity with Linux/Unix environments, GPU clusters, and high-performance computing (HPC) concepts.

• Code Generation: Experience with AI-driven code generation or automated software development workflows.

Benefits & Culture

• World-Class Compensation: Competitive base salary ($250k–$600k) with substantial year-end bonuses and sign-on incentives.

• Collaborative Environment: Join a stimulating, positive, and interdisciplinary team of researchers and engineers.

• Hybrid Flexibility: A 3-day in-office schedule (Tuesday–Thursday) in a premier New York City location, with remote work on Mondays and Fridays.

• Comprehensive Support: Generous relocation and immigration assistance, 401(k) matching, and premium healthcare coverage.