All modules for which code is available
- kgcnn.backend
- kgcnn.crystal.base
- kgcnn.crystal.graph_builder
- kgcnn.crystal.periodic_table.periodic_table
- kgcnn.crystal.preprocessor
- kgcnn.data.base
- kgcnn.data.crystal
- kgcnn.data.datasets.ClinToxDataset
- kgcnn.data.datasets.CoraDataset
- kgcnn.data.datasets.CoraLuDataset
- kgcnn.data.datasets.ESOLDataset
- kgcnn.data.datasets.FreeSolvDataset
- kgcnn.data.datasets.GraphTUDataset2020
- kgcnn.data.datasets.ISO17Dataset
- kgcnn.data.datasets.LipopDataset
- kgcnn.data.datasets.MD17Dataset
- kgcnn.data.datasets.MD17RevisedDataset
- kgcnn.data.datasets.MUTAGDataset
- kgcnn.data.datasets.MatBenchDataset2020
- kgcnn.data.datasets.MatProjectDielectricDataset
- kgcnn.data.datasets.MatProjectEFormDataset
- kgcnn.data.datasets.MatProjectGapDataset
- kgcnn.data.datasets.MatProjectIsMetalDataset
- kgcnn.data.datasets.MatProjectJdft2dDataset
- kgcnn.data.datasets.MatProjectLogGVRHDataset
- kgcnn.data.datasets.MatProjectLogKVRHDataset
- kgcnn.data.datasets.MatProjectPerovskitesDataset
- kgcnn.data.datasets.MatProjectPhononsDataset
- kgcnn.data.datasets.MoleculeNetDataset2018
- kgcnn.data.datasets.MutagenicityDataset
- kgcnn.data.datasets.PROTEINSDataset
- kgcnn.data.datasets.QM7Dataset
- kgcnn.data.datasets.QM7bDataset
- kgcnn.data.datasets.QM8Dataset
- kgcnn.data.datasets.QM9Dataset
- kgcnn.data.datasets.QM9MolNetDataset
- kgcnn.data.datasets.SIDERDataset
- kgcnn.data.datasets.Tox21MolNetDataset
- kgcnn.data.download
- kgcnn.data.force
- kgcnn.data.moleculenet
- kgcnn.data.qm
- kgcnn.data.serial
- kgcnn.data.transform.scaler.force
- kgcnn.data.transform.scaler.molecule
- kgcnn.data.transform.scaler.serial
- kgcnn.data.transform.scaler.standard
- kgcnn.data.tudataset
- kgcnn.data.utils
- kgcnn.graph.base
- kgcnn.graph.methods._adj
- kgcnn.graph.methods._geom
- kgcnn.graph.methods._periodic
- kgcnn.graph.postprocessor
- kgcnn.graph.preprocessor
- kgcnn.graph.serial
- kgcnn.initializers.initializers
- kgcnn.io.file
- kgcnn.io.loader
- kgcnn.layers.activ
- kgcnn.layers.aggr
- kgcnn.layers.attention
- kgcnn.layers.casting
- kgcnn.layers.conv
- kgcnn.layers.gather
- kgcnn.layers.geom
- kgcnn.layers.message
- kgcnn.layers.mlp
- kgcnn.layers.modules
- kgcnn.layers.norm
- kgcnn.layers.polynom
- kgcnn.layers.pooling
- kgcnn.layers.relational
- kgcnn.layers.scale
- kgcnn.layers.set2set
- kgcnn.layers.update
- kgcnn.literature.AttentiveFP._make
- kgcnn.literature.CGCNN._make
- kgcnn.literature.CMPNN._make
- kgcnn.literature.DGIN._make
- kgcnn.literature.DMPNN._make
- kgcnn.literature.DimeNetPP._make
- kgcnn.literature.EGNN._make
- kgcnn.literature.GAT._make
- kgcnn.literature.GATv2._make
- kgcnn.literature.GCN._make
- kgcnn.literature.GIN._make
- kgcnn.literature.GNNExplain._model
- kgcnn.literature.GNNFilm._make
- kgcnn.literature.GraphSAGE._make
- kgcnn.literature.HDNNP2nd._make
- kgcnn.literature.HamNet._make
- kgcnn.literature.INorp._make
- kgcnn.literature.MAT._make
- kgcnn.literature.MEGAN._layers
- kgcnn.literature.MEGAN._make
- kgcnn.literature.MEGAN._model
- kgcnn.literature.MXMNet._make
- kgcnn.literature.Megnet._make
- kgcnn.literature.MoGAT._make
- kgcnn.literature.NMPN._make
- kgcnn.literature.PAiNN._make
- kgcnn.literature.RGCN._make
- kgcnn.literature.Schnet._make
- kgcnn.literature.rGIN._make
- kgcnn.losses.losses
- kgcnn.metrics.metrics
- kgcnn.metrics.utils
- kgcnn.models.casting
- kgcnn.models.force
- kgcnn.models.multi
- kgcnn.models.serial
- kgcnn.models.utils
- kgcnn.molecule.base
- kgcnn.molecule.convert
- kgcnn.molecule.dynamics.ase_calc
- kgcnn.molecule.dynamics.base
- kgcnn.molecule.encoder
- kgcnn.molecule.external.ballloon
- kgcnn.molecule.graph_babel
- kgcnn.molecule.graph_rdkit
- kgcnn.molecule.io
- kgcnn.molecule.methods
- kgcnn.molecule.preprocessor
- kgcnn.molecule.serial
- kgcnn.ops.activ
- kgcnn.ops.axis
- kgcnn.ops.core
- kgcnn.ops.scatter
- kgcnn.optimizers.optimizers
- kgcnn.training.callbacks
- kgcnn.training.history
- kgcnn.training.hyper
- kgcnn.training.schedule
- kgcnn.training.scheduler
- kgcnn.utils.devices
- kgcnn.utils.plots
- kgcnn.utils.serial
- kgcnn.utils.tests