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.

Inclusion statement

In order to provide equal employment and advancement opportunities to all individuals, employment decisions at 3DS are based on merit, qualifications and abilities. 3DS is committed to a policy of non-discrimination and equal opportunity for all employees and qualified applicants without regard to race, color, religion, gender, sex (including pregnancy, childbirth or medical or common conditions related to pregnancy or childbirth), sexual orientation, gender identity, gender expression, marital status, familial status, national origin, ancestry, age (40 and above), disability, veteran status, military service, application for military service, genetic information, receipt of free medical care, or any other characteristic protected under applicable law. 3DS will make reasonable accommodations for qualified individuals with known disabilities, in accordance with applicable law. Qualified applicants with arrest or conviction records will be considered for employment in accordance with applicable state laws and local ordinances. We are committed to fair employment practices and will evaluate all candidates based on their qualifications, regardless of past arrest or conviction history.

Compensation & Benefits

Dassault Systèmes offers an excellent salary with potential for bonus, commensurate with experience. Benefits include a choice of plans providing comprehensive coverage for medical, dental, vision care for employee & dependents as well as employee life, short & long term disability, tuition reimbursement, immediate 401K enrollment, 401K match (50 cents on the dollar, up to the first 8% of your eligible compensation that you contribute based on match eligibility criteria), flexible time off policy, and 10 paid holidays.

Salary Pay Transparency

Compensation for the role will be commensurate with experience. The total expected compensation range will be between $140000 and $180000, representing the base salary (or annualized