Chemellia / ChemistryFeaturization.jl

Interface package for featurizing atomic structures
https://chemistryfeaturization.chemellia.org/dev/
MIT License
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adding serialization for AtomGraph and AtomFeat types #12

Closed rkurchin closed 3 years ago

rkurchin commented 3 years ago

So that we can store graphs as files more easily, etc.

rkurchin commented 3 years ago

@SeanXiaoyuSun if you could review this for merge that would be great. High-level summary of changes is:

SeanXiaoyuSun commented 3 years ago

So it ends up with replacing JLD2 with JSON to save metadata right? And you need to resolve the conflicts as well.

rkurchin commented 3 years ago

Nope, JSON is just for reading in that feature_info file. I'm using Serialization for actually saving the files (.jls). You good for me to merge this once I fix the conflicts though?

SeanXiaoyuSun commented 3 years ago

yeah all tests passed on my end