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 option to predict from model + postprocess #12

Closed ppdebreuck closed 3 years ago

ppdebreuck commented 3 years ago

This is a temporary addition to the script to run from models and add post-processing.