LLMoxie: Exploring Agentic AI for Scientific Software Development
On the map: LLM agents and tool use → Software engineering coding agents
Abstract (arXiv)
In this paper, we describe LLMoxie, an institutional AI platform whose three-tiered architecture supports multi-cloud and on-premise inference, a LiteLLM/MLflow control plane for authentication, budgeting, PII masking, and observability, and an application augmentation layer for AI coding agents. Layered on top, an open-source RSE-Plugins ecosystem encodes accumulated RSE knowledge as a Plugin-Agent-Skill hierarchy spanning scientific Python practice, domain-specific knowledge, a six-phase research-and-implement workflow, and project lifecycle management. Scientific software is judged less by raw code quality than by whether it can be cited, audited, reproduced, and extended. Off-the-shelf AI coding agents, optimized against commercial software benchmarks, are poorly calibrated for this setting: they ignore the conventions of the scientific Python libraries they invoke, mishandle sensitive or embargoed data, and leave decision trails that are difficult to reconstruct after the fact. We report on twenty months of practice at a university-based research software engineering (RSE) center, where RSEs embedded across astronomy, earth and climate science, agriculture, and health projects worked to close this gap. We characterize the recurring infrastructure, governance, and process challenges of adopting Agentic AI inside a multi-domain RSE center, describe the platform and plugin design, and distill operational lessons from real scientific software deployments. Together, the platform and plugins shift AI coding agents from generic code generators into domain-aware collaborators that respect community norms and produce auditable provenance of technical reasoning.
Key facts. No citing papers in the map yet (data through 7 Oct 2026). Placed in Software engineering coding agents, one of 16 directions in LLM agents and tool use. Builds on 13 of its 30 references that are in the map. First posted on arXiv 2 Jul 2026.
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References · 13
- 2024OLMo: Accelerating the Science of Language Modelscited by 599
- 2025LLMs Get Lost In Multi-Turn Conversationcited by 400
- 2025Small Language Models are the Future of Agentic AIcited by 254
- 2024SciCode: A Research Coding Benchmark Curated by Scientistscited by 172
- 2025Holistic Agent Leaderboard: The Missing Infrastructure for AI Agent Evaluationcited by 83
- 2023Is Stack Overflow Obsolete? An Empirical Study of the Characteristics of ChatGPT Answers to Stack Overflow Questionscited by 42
- 2026LLMRouterBench: A Massive Benchmark and Unified Framework for LLM Routingcited by 35
- 2025AstroVisBench: A Code Benchmark for Scientific Computing and Visualization in Astronomycited by 13
- 2025How Scientists Use Large Language Models to Programcited by 8
- 2026From Technical Debt to Cognitive and Intent Debt: Rethinking Software Health in the Age of AIcited by 6
- 2025Ten Simple Rules for AI-Assisted Coding in Sciencecited by 3
- 2025A survey of generative AI adoption and perceived productivity among scientists who programcited by 3
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- 2026Harness Engineering for Agentic AI Coding Tools: An Exploratory Study
- 2026From Overload to Insights: How AI Agents Can Support Scientists in Analyzing Complex Data
- 2025From Reproduction to Replication: Evaluating Research Agents with Progressive Code Masking
- 2025Decoding the Configuration of AI Coding Agents: Insights from Claude Code Projects
- 2026An Agentic Evaluation Framework for AI-Generated Scientific Code in PETSc
- 2026A case study of evaluating AI agents on a neuroscience data-to-discovery pipeline
- 2025RExBench: Can coding agents autonomously implement AI research extensions?
- 2025AI Agentic Programming: A Survey of Techniques, Challenges, and Opportunities