kgcnn package¶
Subpackages¶
- kgcnn.backend package
- kgcnn.crystal package
- kgcnn.data package
- Subpackages
- kgcnn.data.datasets package
- Submodules
- kgcnn.data.datasets.ClinToxDataset module
- kgcnn.data.datasets.CoraDataset module
- kgcnn.data.datasets.CoraLuDataset module
- kgcnn.data.datasets.ESOLDataset module
- kgcnn.data.datasets.FreeSolvDataset module
- kgcnn.data.datasets.GraphTUDataset2020 module
- kgcnn.data.datasets.ISO17Dataset module
- kgcnn.data.datasets.LipopDataset module
- kgcnn.data.datasets.MD17Dataset module
- kgcnn.data.datasets.MD17RevisedDataset module
- kgcnn.data.datasets.MUTAGDataset module
- kgcnn.data.datasets.MatBenchDataset2020 module
- kgcnn.data.datasets.MatProjectDielectricDataset module
- kgcnn.data.datasets.MatProjectEFormDataset module
- kgcnn.data.datasets.MatProjectGapDataset module
- kgcnn.data.datasets.MatProjectIsMetalDataset module
- kgcnn.data.datasets.MatProjectJdft2dDataset module
- kgcnn.data.datasets.MatProjectLogGVRHDataset module
- kgcnn.data.datasets.MatProjectLogKVRHDataset module
- kgcnn.data.datasets.MatProjectPerovskitesDataset module
- kgcnn.data.datasets.MatProjectPhononsDataset module
- kgcnn.data.datasets.MoleculeNetDataset2018 module
- kgcnn.data.datasets.MutagenicityDataset module
- kgcnn.data.datasets.PROTEINSDataset module
- kgcnn.data.datasets.QM7Dataset module
- kgcnn.data.datasets.QM7bDataset module
- kgcnn.data.datasets.QM8Dataset module
- kgcnn.data.datasets.QM9Dataset module
- kgcnn.data.datasets.QM9MolNetDataset module
- kgcnn.data.datasets.SIDERDataset module
- kgcnn.data.datasets.Tox21MolNetDataset module
- Module contents
- kgcnn.data.transform package
- kgcnn.data.datasets package
- Submodules
- kgcnn.data.base module
- kgcnn.data.crystal module
- kgcnn.data.download module
- kgcnn.data.force module
- kgcnn.data.moleculenet module
- kgcnn.data.qm module
- kgcnn.data.serial module
- kgcnn.data.tudataset module
- kgcnn.data.utils module
- Module contents
- Subpackages
- kgcnn.graph package
- kgcnn.initializers package
- kgcnn.io package
- kgcnn.layers package
- Submodules
- kgcnn.layers.activ module
- kgcnn.layers.aggr module
- kgcnn.layers.attention module
- kgcnn.layers.casting module
- kgcnn.layers.conv module
- kgcnn.layers.gather module
- kgcnn.layers.geom module
- kgcnn.layers.message module
- kgcnn.layers.mlp module
- kgcnn.layers.modules module
- kgcnn.layers.norm module
- kgcnn.layers.polynom module
- kgcnn.layers.pooling module
- kgcnn.layers.relational module
- kgcnn.layers.scale module
- kgcnn.layers.set2set module
- kgcnn.layers.update module
- Module contents
- kgcnn.literature package
- Subpackages
- kgcnn.literature.AttentiveFP package
- kgcnn.literature.CGCNN package
- kgcnn.literature.CMPNN package
- kgcnn.literature.DGIN package
- kgcnn.literature.DMPNN package
- kgcnn.literature.DimeNetPP package
- kgcnn.literature.EGNN package
- kgcnn.literature.GAT package
- kgcnn.literature.GATv2 package
- kgcnn.literature.GCN package
- kgcnn.literature.GIN package
- kgcnn.literature.GNNExplain package
- kgcnn.literature.GNNFilm package
- kgcnn.literature.GraphSAGE package
- kgcnn.literature.HDNNP2nd package
- kgcnn.literature.HamNet package
- kgcnn.literature.INorp package
- kgcnn.literature.MAT package
- kgcnn.literature.MEGAN package
- kgcnn.literature.MXMNet package
- kgcnn.literature.Megnet package
- kgcnn.literature.MoGAT package
- kgcnn.literature.NMPN package
- kgcnn.literature.PAiNN package
- kgcnn.literature.RGCN package
- kgcnn.literature.Schnet package
- kgcnn.literature.rGIN package
- Module contents
- Subpackages
- kgcnn.losses package
- kgcnn.metrics package
- kgcnn.models package
- kgcnn.molecule package
- Subpackages
- Submodules
- kgcnn.molecule.base module
- kgcnn.molecule.convert module
- kgcnn.molecule.encoder module
- kgcnn.molecule.graph_babel module
- kgcnn.molecule.graph_rdkit module
- kgcnn.molecule.io module
- kgcnn.molecule.methods module
- kgcnn.molecule.preprocessor module
- kgcnn.molecule.serial module
- Module contents
- kgcnn.ops package
- kgcnn.optimizers package
- kgcnn.training package
- kgcnn.utils package