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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 exports for featurize and decode to FeaturizedAtoms #98

Closed rkurchin closed 3 years ago

rkurchin commented 3 years ago

Signed-off-by: Rachel Kurchin rkurchin@cmu.edu