├── LICENSE ├── README.md ├── datasets ├── AllenDynes │ ├── SISSO.in │ ├── data.csv │ ├── feature_space │ │ └── Uspace.name │ ├── models │ │ ├── top9999_001d │ │ └── top9999_001d_coeff │ └── train.dat └── octahedral_tilting │ ├── dataset.dat │ ├── oversampled │ ├── fold_0 │ │ ├── SISSO.in │ │ ├── SISSO.out │ │ ├── feature_space │ │ │ └── Uspace.name │ │ ├── models │ │ │ └── top1000_001d │ │ └── train.dat │ ├── fold_1 │ │ ├── SISSO.in │ │ ├── SISSO.out │ │ ├── feature_space │ │ │ └── Uspace.name │ │ ├── models │ │ │ └── top1000_001d │ │ └── train.dat │ ├── fold_2 │ │ ├── SISSO.in │ │ ├── SISSO.out │ │ ├── feature_space │ │ │ └── Uspace.name │ │ ├── models │ │ │ └── top1000_001d │ │ └── train.dat │ ├── fold_3 │ │ ├── SISSO.in │ │ ├── SISSO.out │ │ ├── feature_space │ │ │ └── Uspace.name │ │ ├── models │ │ │ └── top1000_001d │ │ └── train.dat │ ├── fold_4 │ │ ├── SISSO.in │ │ ├── SISSO.out │ │ ├── feature_space │ │ │ └── Uspace.name │ │ ├── models │ │ │ └── top1000_001d │ │ └── train.dat │ └── fold_5 │ │ ├── SISSO.in │ │ ├── SISSO.out │ │ ├── feature_space │ │ └── Uspace.name │ │ ├── models │ │ └── top1000_001d │ │ └── train.dat │ └── unweighted │ ├── fold_0 │ ├── SISSO.in │ ├── SISSO.out │ ├── feature_space │ │ └── Uspace.name │ ├── models │ │ └── top1000_001d │ └── train.dat │ ├── fold_1 │ ├── SISSO.in │ ├── SISSO.out │ ├── feature_space │ │ └── Uspace.name │ ├── models │ │ └── top1000_001d │ └── train.dat │ ├── fold_2 │ ├── SISSO.in │ ├── SISSO.out │ ├── feature_space │ │ └── Uspace.name │ ├── models │ │ └── top1000_001d │ └── train.dat │ ├── fold_3 │ ├── SISSO.in │ ├── SISSO.out │ ├── feature_space │ │ └── Uspace.name │ ├── models │ │ └── top1000_001d │ └── train.dat │ ├── fold_4 │ ├── SISSO.in │ ├── SISSO.out │ ├── feature_space │ │ └── Uspace.name │ ├── models │ │ └── top1000_001d │ └── train.dat │ └── fold_5 │ ├── SISSO.in │ ├── SISSO.out │ ├── feature_space │ └── Uspace.name │ ├── models │ └── top1000_001d │ └── train.dat ├── examples ├── data_AD.txt ├── demo │ 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