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tilde-lab / awesome-materials-informatics

Curated list of known efforts in materials informatics, i.e. in modern materials science
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Add Matbench #47

Closed CompRhys closed 2 years ago

CompRhys commented 2 years ago

matbench - https://matbench.materialsproject.org/, https://www.nature.com/articles/s41524-020-00406-3

blokhin commented 2 years ago

Seems to be a Materials Project daughter... too specific

CompRhys commented 2 years ago

Most data derived from MP but useful in that it encourages more comparable benchmarks of ML algorithms e.g. I only need to apply my model to the tasks and can then compare against other users scores for their models. Important step for materials informatics as it removes potential for biases to suppress performance of baseline models due to lack of hyper-parameter tuning.

sgbaird commented 2 years ago

I think matbench deserves some more visibility for materials informatics. Very applicable for composition- or structural-based regression or classification models. I wish many more models had matbench runs. Would save a lot of time in evaluating the slew of models. I'm a big (non-affiliated) recommender of matbench to others, especially when I see new model repos popping up.