GNC_31_70.npz
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下载链接：
https://figshare.com/articles/dataset/GNC_31_70_npz/14635347
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资源简介：
Gallium Neural Clusters GNC dataset consist of 6851 optimized structures and DFT energies of Gallium clusters of size ranging from 31 to 70 atoms.
The ".npz" file contains optimized geometries cartesian coordinates, energy and Topological Atomic Descriptor (TAD) which is used as feature vector to train our model DART for binding energy prediction of Gallium clusters.
创建时间：
2021-06-02
