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@MISC{Hilgers:916498,
author = {Hilgers, Robin and Wortmann, Daniel and Blügel, Stefan},
title = {{D}ata processing for the {J}u{H}emd database and
{ML}-training and evaluation scripts},
reportid = {FZJ-2022-06287},
year = {2022},
note = {MIT license},
abstract = {This software publication contains python code which: 1.
Process the JuHemd (see related identifiers) database so
that complete data points are selected to be processed in a
machine readable and ML-ready format. A magnetic threshold
of 0.1 Bohr magneton as total absolute magnetic moment is
applied to the data. Data points with zero Curie
temperatures are excluded. The script produces data arrays
in randomized order and uses supplemental atomic data. The
supplemental atomic data as well as the generated data set
is published separately (see related identifiers). The data
is generated once including density-functional theory
generated descriptors and once excluding them. 2. Is needed
to train and evaluate ML-models demonstrating the use of the
data for the prediction of Curie temperatures as described
in our upcoming paper.},
cin = {IAS-1 / PGI-1},
cid = {I:(DE-Juel1)IAS-1-20090406 / I:(DE-Juel1)PGI-1-20110106},
pnm = {5211 - Topological Matter (POF4-521) / HDS LEE - Helmholtz
School for Data Science in Life, Earth and Energy (HDS LEE)
(HDS-LEE-20190612)},
pid = {G:(DE-HGF)POF4-5211 / G:(DE-Juel1)HDS-LEE-20190612},
typ = {PUB:(DE-HGF)33},
url = {https://juser.fz-juelich.de/record/916498},
}