AI Scientific Software Engineer - Pipeline Pilot

Roles & Responsibilities BIOVIA, a wholly owned subsidiary of DASSAULT SYSTÈMES , provides a sophisticated enterprise system of modeling, simulation, machine learning, laboratory, quality and process execution, and data management solutions. Our customers use these systems to discover, design, and deliver innovative, sustainable, and competitive products to consumers globally. These capabilities are delivered through software applications and cloud services that empower scientists and engineers to access, understand, and analyze their data to produce quality products. As an AI Scientific Software Developer , you will support the development of the MARIE AI-powered companion for scientists within BIOVIA products, specifically Pipeline Pilot. This role is a hybrid onsite position most preferably at our San Diego, CA office. MARIE is a co-scientist that lives within the 3DEXPERIENCE platform —a scientific Virtual Companion that helps scientists navigate complexity with confidence. By reasoning through, orchestrating, and executing multi-step workflows using validated scientific methods, MARIE delivers deterministic, actionable outcomes. Our scientific functionality is a cornerstone of BIOVIA’s enterprise solutions for the pharmaceutical, biotechnology, and fine-chemical industries. You will be building:

• Model & Prompt Engineering: Design, test, and iterate on prompts that improve reasoning, factuality, and user experience.
• Agentic AI Frameworks: Build, manage, and orchestrate agentic workflows involving tool calling, reasoning loops, memory management, skills orchestration, and multi-step task execution.
• AI Safety & Reliability: Implement guardrails, monitoring, and validation mechanisms to ensure AI systems remain safe, reliable, and ethically grounded.

• This position will focus on developing new approaches to scientific software as part of a larger, dynamic development team dedicated to delivering high-quality, on-time software releases using best-of-breed Agile practices.
• The qualified candidate will have an excellent background in Python AI/ML programming, including AI-assisted coding.
• Familiarity with software architecture, design, optimization, and maintenance.
• In addition to being a hands-on engineer, the successful applicant will develop collaborative working relationships with application development, quality assurance, product marketing, technical communications, and technical services teams across the company.

Qualifications - External

• PhD in Life Sciences or Computer Science, with 3+ years of software development experience and relevant experience specifically within the AI/ML development landscape.
• AI/ML Literacy: A strong grasp of LLM fundamentals, including tokens, temperature, top-p, and context windows.
• Experience implementing Retrieval-Augmented Generation (RAG) systems, semantic search, and vector databases.
• Prompt Engineering & Evaluation: Experience designing, optimizing, and evaluating prompts to improve AI behavior, reasoning, and response quality.
• Agentic AI Frameworks: Hands-on experience working with agentic AI frameworks such as LangChain, LangGraph, and DeepAgents, involving tool calling, reasoning loops, memory management, skills orchestration, guardrails, and multi-step task execution.
• Experience using BIOVIA Pipeline Pilot or similar chemical information software.
• Experience with Model Context Protocol (MCP).
• Familiarity with the use cases, processes, and methods used within the pharmaceutical and biotech industries, as well as by cheminformaticists and computational chemists, is a major plus.
• Broad technical knowledge of object-oriented design and implementation, design patterns, and software development methodologies.
• Excellent written and verbal communication skills.
• Strong analytical and organizational skills.
• Strong personal drive to learn leading-edge technologies and excel.
• Experience with Agile development methodologies such as Scrum.