Lin WANG (王林)

icon indicating a website link https://wang-lin-boop.github.io/WangLin/

icon company Institute of Systems Medicine, Chinese Academy of Medical Sciences/Suzhou Institute of Systems Medicine (ISM) icon location Suzhou icon location A boy wandering in the chemical space.

Results 1 comments of Lin WANG (王林)

How to obtain the categorical node features for GIN and GNNOGB?

>In the context of molecules, most likely they are atom types. It depends on if your graph already has atom types extracted and stored. For my featurizer ``BaseAtomFeaturizer({'atom_type':ConcatFeaturizer([atom_type_one_hot, atom_hybridization_one_hot, atom_formal_charge,...