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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

add AtomGraph, AtomFeat types #8

Closed rkurchin closed 3 years ago

rkurchin commented 4 years ago

@SeanXiaoyuSun I'm ready to go with this; if you could take a skim through the code and make sure the ideas make sense, and make sure the tests pass for you, that'd be great! :)

rkurchin commented 4 years ago

(sorry for force push, all I added was a couple more comments that I'd forgotten to commit before pushing, oops)

rkurchin commented 3 years ago

@SeanXiaoyuSun approved this to merge via Slack