Bispectrum degenerate B8 data
Description
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
Resources
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Description |
Link |
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0 |
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http://data.europa.eu/88u/dataset/oai-zenodo-org-8003294 |
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0 |
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http://data.europa.eu/88u/dataset/oai-zenodo-org-8003294 |