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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Consider moving some code into main modnet package #4

Open ml-evs opened 3 years ago

ml-evs commented 3 years ago

Some of the functions in run_benchmark.py could be usefully added to modnet proper, for e.g. calculating metrics across folds.