Pretrained models of HamGNN and test examples
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资源简介：
The dataset contains the HamGNN models trained on carbon allotropes, silicon allotropes, SiO<sub>2</sub> isomers, and Bi<sub>x</sub>Se<sub>y</sub> compounds. The structures beyond the training dataset are utilized as the test examples for HamGNN.
创建时间：
2023-07-14
