materialsproject/matbench

Add flag for tasks that contain polymorphs

CompRhys opened this issue · 3 comments

CompRhys commented

Would it be possible to add a flag for tasks that contain poly-morphs? I will look at running roost and wren through matbench in a few weeks but for certain tasks such as E_f there is a mismatch between the mappings that roost is able to learn and the task.

ardunn commented

Yes absolutely. What do you think is the best way to access this programmatically?

Like

mb = MatbenchBenchmark(...)
mb.matbench_dielectric.has_polymorphs

>>> True

Or something else?

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CompRhys commented

yep just something simple like that would be great!

ardunn commented

Ok I will implement that and tag you and this issue in the PR

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