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rearrange prop so that allnode prop type to be first
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2 files changed

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configs/data/chebi50_aug_all_props.yml

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@@ -2,19 +2,19 @@ class_path: chebai_graph.preprocessing.datasets.ChEBI50_WFGE_WGN_GraphProp
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init_args:
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properties:
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# Atom properties
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- chebai_graph.preprocessing.properties.AtomNodeLevel
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- chebai_graph.preprocessing.properties.AugAtomType
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- chebai_graph.preprocessing.properties.AugNumAtomBonds
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- chebai_graph.preprocessing.properties.AugAtomCharge
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- chebai_graph.preprocessing.properties.AugAtomAromaticity
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- chebai_graph.preprocessing.properties.AugAtomHybridization
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- chebai_graph.preprocessing.properties.AugAtomNumHs
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- chebai_graph.preprocessing.properties.AtomFunctionalGroup
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- chebai_graph.preprocessing.properties.AtomNodeLevel
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- chebai_graph.preprocessing.properties.IsHydrogenBondDonorFG
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- chebai_graph.preprocessing.properties.IsHydrogenBondAcceptorFG
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- chebai_graph.preprocessing.properties.IsFGAlkyl
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# Bond properties
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- chebai_graph.preprocessing.properties.BondLevel
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- chebai_graph.preprocessing.properties.AugBondType
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- chebai_graph.preprocessing.properties.AugBondInRing
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- chebai_graph.preprocessing.properties.AugBondAromaticity
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- chebai_graph.preprocessing.properties.BondLevel
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@@ -0,0 +1,24 @@
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class_path: chebai_graph.preprocessing.datasets.ChEBI50_WFGE_WGN_AsPerNodeType
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init_args:
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properties:
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# All Node type properties
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- chebai_graph.preprocessing.properties.AtomNodeLevel
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# Atom Node type properties
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- chebai_graph.preprocessing.properties.AugAtomType
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- chebai_graph.preprocessing.properties.AugNumAtomBonds
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- chebai_graph.preprocessing.properties.AugAtomCharge
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- chebai_graph.preprocessing.properties.AugAtomAromaticity
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- chebai_graph.preprocessing.properties.AugAtomHybridization
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- chebai_graph.preprocessing.properties.AugAtomNumHs
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# FG Node type properties
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- chebai_graph.preprocessing.properties.AtomFunctionalGroup
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- chebai_graph.preprocessing.properties.IsHydrogenBondDonorFG
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- chebai_graph.preprocessing.properties.IsHydrogenBondAcceptorFG
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- chebai_graph.preprocessing.properties.IsFGAlkyl
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# Graph Node type properties
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- chebai_graph.preprocessing.properties.RDKit2DNormalized
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# Bond properties
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- chebai_graph.preprocessing.properties.BondLevel
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- chebai_graph.preprocessing.properties.AugBondType
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- chebai_graph.preprocessing.properties.AugBondInRing
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- chebai_graph.preprocessing.properties.AugBondAromaticity

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