遇见数据集

Bispectrum degenerate B8 data

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Zenodo2023-06-04 更新2026-04-07 收录
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资源简介:

Dataset of 4000 pairs of bispectrum degenerate boron (B8) structures, along with scripts to generate the atom-centered (nu=7) and three-centered features that are complete. Also contains scripts to reconstruct the nu=7 single-centered features from the three center features using an encoder-decoder architecture, and to model the structural energies using these features

创建时间:
2023-06-04
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