Bispectrum degenerate B8 data (Q6724619)
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Dataset published at Zenodo repository.
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Bispectrum degenerate B8 data |
Dataset published at Zenodo repository. |
Statements
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
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4 June 2023
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v1.0.1
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