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Chemellia / ChemistryFeaturization.jl

Interface package for featurizing atomic structures
https://chemistryfeaturization.chemellia.org/dev/
MIT License
41 stars 14 forks source link

make features unitful? #57

Open rkurchin opened 3 years ago

rkurchin commented 3 years ago

Really just a "nice to have" thing and not crucial at all...leaving here as a note to self, to be eventually categorized properly once I decide on a list of issue tags.

thazhemadam commented 3 years ago

@rkurchin what exactly do you have in mind? Some details/examples might help.

rkurchin commented 3 years ago

It's sort of in the general spirit of interpretability/readability of features. Just the idea of using Unitful.jl to attach units to all the quantities that get encoded. It wouldn't change anything about how the models work or anything.

thazhemadam commented 3 years ago

Hmm, I understand. Using a decorator for implementing this might be a clean solution imo.