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lines changed Original file line number Diff line number Diff line change @@ -2,19 +2,19 @@ class_path: chebai_graph.preprocessing.datasets.ChEBI50_WFGE_WGN_GraphProp
22init_args :
33 properties :
44 # Atom properties
5+ - chebai_graph.preprocessing.properties.AtomNodeLevel
56 - chebai_graph.preprocessing.properties.AugAtomType
67 - chebai_graph.preprocessing.properties.AugNumAtomBonds
78 - chebai_graph.preprocessing.properties.AugAtomCharge
89 - chebai_graph.preprocessing.properties.AugAtomAromaticity
910 - chebai_graph.preprocessing.properties.AugAtomHybridization
1011 - chebai_graph.preprocessing.properties.AugAtomNumHs
1112 - chebai_graph.preprocessing.properties.AtomFunctionalGroup
12- - chebai_graph.preprocessing.properties.AtomNodeLevel
1313 - chebai_graph.preprocessing.properties.IsHydrogenBondDonorFG
1414 - chebai_graph.preprocessing.properties.IsHydrogenBondAcceptorFG
1515 - chebai_graph.preprocessing.properties.IsFGAlkyl
1616 # Bond properties
17+ - chebai_graph.preprocessing.properties.BondLevel
1718 - chebai_graph.preprocessing.properties.AugBondType
1819 - chebai_graph.preprocessing.properties.AugBondInRing
1920 - chebai_graph.preprocessing.properties.AugBondAromaticity
20- - chebai_graph.preprocessing.properties.BondLevel
Original file line number Diff line number Diff line change 1+ class_path : chebai_graph.preprocessing.datasets.ChEBI50_WFGE_WGN_AsPerNodeType
2+ init_args :
3+ properties :
4+ # All Node type properties
5+ - chebai_graph.preprocessing.properties.AtomNodeLevel
6+ # Atom Node type properties
7+ - chebai_graph.preprocessing.properties.AugAtomType
8+ - chebai_graph.preprocessing.properties.AugNumAtomBonds
9+ - chebai_graph.preprocessing.properties.AugAtomCharge
10+ - chebai_graph.preprocessing.properties.AugAtomAromaticity
11+ - chebai_graph.preprocessing.properties.AugAtomHybridization
12+ - chebai_graph.preprocessing.properties.AugAtomNumHs
13+ # FG Node type properties
14+ - chebai_graph.preprocessing.properties.AtomFunctionalGroup
15+ - chebai_graph.preprocessing.properties.IsHydrogenBondDonorFG
16+ - chebai_graph.preprocessing.properties.IsHydrogenBondAcceptorFG
17+ - chebai_graph.preprocessing.properties.IsFGAlkyl
18+ # Graph Node type properties
19+ - chebai_graph.preprocessing.properties.RDKit2DNormalized
20+ # Bond properties
21+ - chebai_graph.preprocessing.properties.BondLevel
22+ - chebai_graph.preprocessing.properties.AugBondType
23+ - chebai_graph.preprocessing.properties.AugBondInRing
24+ - chebai_graph.preprocessing.properties.AugBondAromaticity
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