Matbench benchmark data

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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Matbench benchmark data #1

Closed ppdebreuck closed 3 years ago

ppdebreuck commented 3 years ago

Updated best params (not used anymore, but could be interesting to keep)
Utils updated : inner feature selection and hyper parameter selection

Everything should be working and ready for 'final' matbench performance...

EDIT from @ml-evs:

All final benchmarks and code to generate them were also added to this PR.