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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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Adding big tasks #17

Closed ppdebreuck closed 2 years ago

ppdebreuck commented 2 years ago

Big tasks:

mp_e_form mp_gap mp_is_metal perovskites

Note: benchmarks are not run with _fitpreset! Instaed, a custom GA (repo) has been implemented, with individuals trained on subsampled data (in order to decrease training size, thus decreasing computing time).