CodeDistiller: Automatically Generating Code Libraries for Scientific Coding Agents

Peter Jansen, Samiah Hassan, Pragnya Narasimha


Abstract
Automated Scientific Discovery (ASD) systems can help automatically generate and run code-based experiments, but their capabilities are limited by the code they can reliably generate from parametric knowledge alone. As a result, current systems either mutate a small number of manually-crafted experiment examples, or operate solely from parametric knowledge, limiting quality and reach. We introduce CodeDistiller, a system that automatically distills large collections of scientific Github repositories into a vetted library of working domain-specific code examples, allowing ASD agents to expand their capabilities without manual effort. Using a combination of automatic and domain-expert evaluation on 250 materials science repositories, we find the best model is capable of producing functional examples for 74% of repositories, while our downstream evaluation shows an ASD agent augmented with a CodeDistiller generated library produces more accurate, complete, and scientifically sound experiments than an agent with only general materials-science code examples. We also evaluate LLM-as-a-judge ratings against domain-expert ratings in an A/B testing paradigm, finding moderate agreement and suggesting that inexpensive proxy metrics may be feasible for evaluating scientific discovery systems at scale.
Anthology ID:
2026.acl-demo.10
Volume:
Proceedings of the 64th Annual Meeting of the Association for Computational Linguistics (Volume 3: System Demonstrations)
Month:
July
Year:
2026
Address:
San Diego, California, United States
Editors:
Greg Durrett, Ping Jian
Venue:
ACL
SIG:
Publisher:
Association for Computational Linguistics
Note:
Pages:
99–107
Language:
URL:
https://preview.aclanthology.org/ingest-acl/2026.acl-demo.10/
DOI:
Bibkey:
Cite (ACL):
Peter Jansen, Samiah Hassan, and Pragnya Narasimha. 2026. CodeDistiller: Automatically Generating Code Libraries for Scientific Coding Agents. In Proceedings of the 64th Annual Meeting of the Association for Computational Linguistics (Volume 3: System Demonstrations), pages 99–107, San Diego, California, United States. Association for Computational Linguistics.
Cite (Informal):
CodeDistiller: Automatically Generating Code Libraries for Scientific Coding Agents (Jansen et al., ACL 2026)
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PDF:
https://preview.aclanthology.org/ingest-acl/2026.acl-demo.10.pdf