University of Rochester · NNSA-funded materials program · 2024-2026

OpenXRD: a benchmark framework for crystallography question answering

Cover artwork of Digital Discovery, volume 5 issue 5 (May 2026), the issue featuring OPENXRD

Built and maintain the OpenXRD framework and repository: a 217-question X-ray diffraction benchmark that evaluates 74 LLMs and multimodal LLMs under open-book and closed-book settings (Digital Discovery 2026).

  • Scale 217 expert-curated questions, 74 models
  • Ownership all commits in the upstream repository
  • Published Digital Discovery 2026
  • Open repository and benchmark public

Work under an NNSA-funded materials program at the University of Rochester. All commits in the upstream repository are mine; the paper appeared in Digital Discovery (2026).

All systems