000916498 001__ 916498
000916498 005__ 20230123101859.0
000916498 037__ $$aFZJ-2022-06287
000916498 041__ $$aEnglish
000916498 1001_ $$0P:(DE-Juel1)179506$$aHilgers, Robin$$b0$$eCorresponding author$$ufzj
000916498 245__ $$aData processing for the JuHemd database and ML-training and evaluation scripts
000916498 260__ $$c2022
000916498 3367_ $$2DCMI$$aSoftware
000916498 3367_ $$0PUB:(DE-HGF)33$$2PUB:(DE-HGF)$$aSoftware$$bsware$$msware$$s1672931586_8317
000916498 3367_ $$2BibTeX$$aMISC
000916498 3367_ $$06$$2EndNote$$aComputer Program
000916498 3367_ $$2ORCID$$aOTHER
000916498 3367_ $$2DataCite$$aSoftware
000916498 500__ $$aMIT license
000916498 520__ $$aThis 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.
000916498 536__ $$0G:(DE-HGF)POF4-5211$$a5211 - Topological Matter (POF4-521)$$cPOF4-521$$fPOF IV$$x0
000916498 536__ $$0G:(DE-Juel1)HDS-LEE-20190612$$aHDS LEE - Helmholtz School for Data Science in Life, Earth and Energy (HDS LEE) (HDS-LEE-20190612)$$cHDS-LEE-20190612$$x1
000916498 65027 $$0V:(DE-MLZ)SciArea-120$$2V:(DE-HGF)$$aCondensed Matter Physics$$x0
000916498 65027 $$0V:(DE-MLZ)SciArea-180$$2V:(DE-HGF)$$aMaterials Science$$x1
000916498 65017 $$0V:(DE-MLZ)GC-1604-2016$$2V:(DE-HGF)$$aMagnetic Materials$$x0
000916498 7001_ $$0P:(DE-Juel1)131042$$aWortmann, Daniel$$b1$$ufzj
000916498 7001_ $$0P:(DE-Juel1)130548$$aBlügel, Stefan$$b2$$ufzj
000916498 8564_ $$uhttps://zenodo.org/record/7452756
000916498 8564_ $$uhttps://juser.fz-juelich.de/record/916498/files/Software.zip$$yRestricted
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000916498 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)131042$$aForschungszentrum Jülich$$b1$$kFZJ
000916498 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)130548$$aForschungszentrum Jülich$$b2$$kFZJ
000916498 9131_ $$0G:(DE-HGF)POF4-521$$1G:(DE-HGF)POF4-520$$2G:(DE-HGF)POF4-500$$3G:(DE-HGF)POF4$$4G:(DE-HGF)POF$$9G:(DE-HGF)POF4-5211$$aDE-HGF$$bKey Technologies$$lNatural, Artificial and Cognitive Information Processing$$vQuantum Materials$$x0
000916498 9141_ $$y2022
000916498 9201_ $$0I:(DE-Juel1)IAS-1-20090406$$kIAS-1$$lQuanten-Theorie der Materialien$$x0
000916498 9201_ $$0I:(DE-Juel1)PGI-1-20110106$$kPGI-1$$lQuanten-Theorie der Materialien$$x1
000916498 980__ $$asware
000916498 980__ $$aVDB
000916498 980__ $$aI:(DE-Juel1)IAS-1-20090406
000916498 980__ $$aI:(DE-Juel1)PGI-1-20110106
000916498 980__ $$aUNRESTRICTED