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

Name Format Description Link
Unknown Resource Unknown Open resource
Unknown Resource Unknown Open resource

Tags

Topics

Categories