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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

Examples #3

Closed rkurchin closed 3 years ago

rkurchin commented 4 years ago

At least one example (documented with comments and readme) of building features for each paradigm (currently, just two - graphs from CIF files and Weave model). These can likely be copy/pasted from the other repos...

rkurchin commented 4 years ago

we should make sure to include how to invert features in these examples though; which is probably not there in the other repos

rkurchin commented 3 years ago

Oops, reopening because we merged the docs PR before actually adding examples...