Research data supporting "Learning Models for Electron Densities with Bayesian Regression"
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Schmidt, E., Fowler, A., Elliott, J., & Bristowe, P. (2018). Research data supporting "Learning Models for Electron Densities with Bayesian Regression" [Dataset]. https://doi.org/10.17863/CAM.14349
The data for the reconstruction of the images shown in the paper is contained in *.pckl files. These files were created using Python's pickle module: https://docs.python.org/3.5/library/pickle.html
In order to use the provided files Python and the pickle module are required. The regression were done using the Python module PottyTrainer developed for this paper and also linked in the paper.
Embedded Atom Method, Bayes, Linear Regression, Density Functional Theory, Regression data
Engineering and Physical Sciences Research Council (EP/L015552/1)
This record's DOI: https://doi.org/10.17863/CAM.14349
Attribution 4.0 International (CC BY 4.0)
Licence URL: https://creativecommons.org/licenses/by/4.0/