Chemellia / ChemistryFeaturization.jl

Interface package for featurizing atomic structures
https://chemistryfeaturization.chemellia.org/dev/
MIT License
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bulk version of add_features! function #33

Closed rkurchin closed 3 years ago

rkurchin commented 3 years ago

Would be good to have a version that can take in an array of AtomGraph objects and add features. Should take a few minutes to add and make tests for but I'm in the middle of something else so I'm making this issue to remind myself about it...