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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

custom contextual features #6

Closed rkurchin closed 3 years ago

rkurchin commented 4 years ago

Possibility to add custom features not from a lookup table but from user-provided labels. See this issue for more details.

rkurchin commented 3 years ago

This is resolved by restructure PR but I forgot to link it, closing.