Pass correct classification option to kfold for classification tasks

modl-uclouvain / modnet-matbench

Data repository accompanying De Breuck et al., "Robust model benchmarking and bias-imbalance in data-driven materials science: a case study on MODNet"

https://doi.org/10.1088/1361-648X/ac1280

MIT License

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Pass correct classification option to kfold for classification tasks #15

Closed ml-evs closed 3 years ago

ml-evs commented 3 years ago

The classification setting was not passed through to our final benchmarks correctly, so KFold instead of StratifiedKFold was used:

https://github.com/ml-evs/modnet-matbench/blob/f7ee52418ef26e44d3c5624acba9b4cece5904b6/run_benchmark.py#L193