CrystalX: High-accuracy Crystal Structure Analysis Using Deep Learning

ArXi:2410.13713v2 Announce Type: replace Atomic structure analysis of crystalline materials is a paramount endeavor in both chemical and material sciences. This sophisticated technique necessitates not only a solid foundation in crystallography but also a profound comprehension of the intricacies of the accompanying software, posing a significant challenge in meeting the rigorous daily demands. For the first time, we confront this challenge head-on by harnessing the power of deep learning for fully automated routine structure analysis at the full-atom level.