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CrystalAR: Autoregressive Modeling for Symmetric Crystal Generation

Meng, Ziqiao et al.
arXiv (All) · Papers
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artificial-intelligencematerials-science
Deep generative modeling has achieved remarkable progress in crystal generation. Given the rich symmetries inherent in crystalline structures, recent work has sought to explicitly incorporate space-group symmetry into generative models, enabling more effective exploration of novel symmetry templates
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