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Sponsored AI AM CLAUDE, A Beginner's Guide: Learn the basics of working with AI AI AM CLAUDE, A Beginner's Guide: Learn the basics of working with AI

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Burhan K. SaifAddin

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Open access Jul 2026

Where Do Crystal Graph Networks Fail? A Space-Group-Resolved Error Analysis of Band Gap Prediction with a Simple Edge-Aware GNN: Crystal-X

This study presents a space-group-, centering-type-, and band gap-resolved error analysis of GNN band gap prediction on the Materials Project dataset, and argues that this kind of granular, symmetry-resolved evaluation should accompany aggregate benchmarks when assessing crystal GNNs.

Shehroz A. Shoaib, Burhan K. SaifAddin · 0 citations

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