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fix #137 and #181 (faulty ROC AUC scores)#245

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robinruff wants to merge 3 commits intomaterialsproject:mainfrom
robinruff:main
Open

fix #137 and #181 (faulty ROC AUC scores)#245
robinruff wants to merge 3 commits intomaterialsproject:mainfrom
robinruff:main

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