xiaodu-ali/CrystalXRD-Bench
LLM4Mat-Bench: XRD Max-Peak HKL Identification Benchmark Dataset Description LLM4Mat-Bench is a multimodal benchmark for evaluating Vision-Language Models (VLMs) on crystallographic reasoning tasks. Given a theoretical X-ray Diffraction (XRD) pattern image and the corresponding crystal structure (CIF), the model must identify the Miller indices (HKL) of the crystallographic planes contributing to the highest-intensity peak. This benchmark tests the intersection of… See the full description on the dataset page: https://huggingface.co/datasets/xiaodu-ali/CrystalXRD-Bench.
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Initial release: 1936 XRD Max-Peak HKL benchmark samples (10 datasets)
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