├── LICENCE.md ├── README.md ├── config.py ├── datasets ├── __init__.py ├── base_dataset.py ├── config.py ├── gnn_benchmark.py ├── grid.pt ├── lrgb.py ├── manifold.py ├── mnist.py ├── modelnet.py ├── moleculenet.py ├── transforms.py ├── tu.py └── weighted_mnist.py ├── dect ├── LICENSE.txt ├── README.rst ├── __init__.py ├── dect │ ├── __init__.py │ └── ect.py └── pyproject.toml ├── example.ipynb ├── experiment ├── DD │ └── ect_cnn_edges.yaml ├── Letter-high │ └── ect_cnn_edges.yaml ├── Letter-low │ └── ect_cnn_edges.yaml ├── Letter-med │ └── ect_cnn_edges.yaml ├── PROTEINS_full │ └── ect_cnn_edges.yaml ├── ablations │ ├── ablations0.yaml │ ├── ablations1.yaml │ ├── ablations2.yaml │ ├── ablations3.yaml │ ├── ablations4.yaml │ ├── ablations5.yaml │ ├── ablations6.yaml │ ├── ablations7.yaml │ └── ablations8.yaml ├── bzr │ └── ect_cnn_edges.yaml ├── cox2 │ └── ect_cnn_edges.yaml ├── dhfr │ └── ect_cnn_edges.yaml ├── gnn_mnist_classification │ └── ect_cnn_edges.yaml ├── lrgb │ ├── lrgb_cnn_edges.yaml │ ├── lrgb_cnn_points.yaml │ ├── lrgb_linear_edges.yaml │ └── lrgb_linear_points.yaml ├── manifold_classification │ ├── ect_cnn_faces.yaml │ └── ect_linear_faces.yaml └── weighted_mnist │ └── wect.yaml ├── figures └── ect_animation.gif ├── generate_experiments.py ├── loaders └── factory.py ├── logger.py ├── main.py ├── metrics └── metrics.py ├── models ├── __init__.py ├── base_model.py ├── config.py ├── ect_cnn.py ├── ect_linear.py ├── layers │ ├── __init__.py │ ├── layers.py │ └── layers_wect.py ├── wect_cnn.py └── wect_linear.py ├── notebooks └── dect.ipynb ├── requirements.txt ├── single_main.py └── utils └── __init__.py /LICENCE.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/aidos-lab/dect-evaluation/HEAD/LICENCE.md -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- 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