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sparks-baird / CrabNet

Predict materials properties using only the composition information!
https://crabnet.readthedocs.io/
MIT License
12 stars 4 forks source link

fix: do not always set classification to false #63

Closed kjappelbaum closed 1 year ago

kjappelbaum commented 1 year ago

hi @sgbaird 👋🏽

Thanks for packaging this up. I think this fix here is needed (perhaps one should also add a simple test that overfits to check that it does what it is supposed to do).

Cheers, Kevin

sgbaird commented 1 year ago

Oh wow, great catch! Yeah, that definitely looks like the right fix. I haven't dealt too much with classification and CrabNet, and adding a unit test seems to be in order here. I'll go ahead and merge the request for now.