AUTHORS
LICENSE
MANIFEST.in
README.md
setup.py
kgcnn/__init__.py
kgcnn.egg-info/PKG-INFO
kgcnn.egg-info/SOURCES.txt
kgcnn.egg-info/dependency_links.txt
kgcnn.egg-info/requires.txt
kgcnn.egg-info/top_level.txt
kgcnn/data/__init__.py
kgcnn/data/base.py
kgcnn/data/crystal.py
kgcnn/data/download.py
kgcnn/data/moleculenet.py
kgcnn/data/qm.py
kgcnn/data/tudataset.py
kgcnn/data/datasets/CoraDataset.py
kgcnn/data/datasets/CoraLuDataset.py
kgcnn/data/datasets/ESOLDataset.py
kgcnn/data/datasets/GraphTUDataset2020.py
kgcnn/data/datasets/LipopDataset.py
kgcnn/data/datasets/MUTAGDataset.py
kgcnn/data/datasets/MoleculeNetDataset2018.py
kgcnn/data/datasets/MutagenicityDataset.py
kgcnn/data/datasets/PROTEINSDataset.py
kgcnn/data/datasets/QM9Dataset.py
kgcnn/data/datasets/__init__.py
kgcnn/io/__init__.py
kgcnn/io/loader.py
kgcnn/layers/README.md
kgcnn/layers/__init__.py
kgcnn/layers/base.py
kgcnn/layers/casting.py
kgcnn/layers/gather.py
kgcnn/layers/geom.py
kgcnn/layers/mlp.py
kgcnn/layers/modules.py
kgcnn/layers/norm.py
kgcnn/layers/pooling.py
kgcnn/layers/conv/__init__.py
kgcnn/layers/conv/attention.py
kgcnn/layers/conv/dimenet_conv.py
kgcnn/layers/conv/dmpnn_conv.py
kgcnn/layers/conv/gcn_conv.py
kgcnn/layers/conv/gin_conv.py
kgcnn/layers/conv/haste.py
kgcnn/layers/conv/megnet_conv.py
kgcnn/layers/conv/message.py
kgcnn/layers/conv/mpnn_conv.py
kgcnn/layers/conv/painn_conv.py
kgcnn/layers/conv/sage_conv.py
kgcnn/layers/conv/schnet_conv.py
kgcnn/layers/conv/sparse.py
kgcnn/layers/conv/vgae_conv.py
kgcnn/layers/pool/__init__.py
kgcnn/layers/pool/set2set.py
kgcnn/layers/pool/topk.py
kgcnn/literature/AttentiveFP.py
kgcnn/literature/AttentiveFPHaste.py
kgcnn/literature/DMPNN.py
kgcnn/literature/DimeNetPP.py
kgcnn/literature/GAT.py
kgcnn/literature/GATv2.py
kgcnn/literature/GCN.py
kgcnn/literature/GIN.py
kgcnn/literature/GNNExplain.py
kgcnn/literature/GraphSAGE.py
kgcnn/literature/INorp.py
kgcnn/literature/Megnet.py
kgcnn/literature/NMPN.py
kgcnn/literature/PAiNN.py
kgcnn/literature/Schnet.py
kgcnn/literature/Unet.py
kgcnn/literature/__init__.py
kgcnn/mol/__init__.py
kgcnn/mol/base.py
kgcnn/mol/enocder.py
kgcnn/mol/graphBabel.py
kgcnn/mol/graphPyMat.py
kgcnn/mol/graphRD.py
kgcnn/mol/io.py
kgcnn/mol/methods.py
kgcnn/mol/gen/__init__.py
kgcnn/mol/gen/ballloon.py
kgcnn/mol/gen/base.py
kgcnn/mol/gen/default.py
kgcnn/ops/__init__.py
kgcnn/ops/activ.py
kgcnn/ops/axis.py
kgcnn/ops/casting.py
kgcnn/ops/initializer.py
kgcnn/ops/partition.py
kgcnn/ops/polynom.py
kgcnn/ops/ragged.py
kgcnn/ops/scatter.py
kgcnn/ops/segment.py
kgcnn/ops/sorting.py
kgcnn/selection/__init__.py
kgcnn/selection/data.py
kgcnn/selection/hyper.py
kgcnn/selection/models.py
kgcnn/training/__init__.py
kgcnn/utils/__init__.py
kgcnn/utils/adj.py
kgcnn/utils/data.py
kgcnn/utils/learning.py
kgcnn/utils/loss.py
kgcnn/utils/models.py
kgcnn/utils/plots.py
test/test_adj.py
test/test_connect.py
test/test_conv_attention.py
test/test_conv_dmpnn.py
test/test_gather.py
test/test_geom.py
test/test_pool_pooling.py
test/test_topk.py