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      gemnet_pytorch
gemnet_pytorch PublicGemNet model in PyTorch, as proposed in "GemNet: Universal Directional Graph Neural Networks for Molecules" (NeurIPS 2021)
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pprgo_pytorch PublicPPRGo model in PyTorch, as proposed in "Scaling Graph Neural Networks with Approximate PageRank" (KDD 2020)
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pprgo_tensorflow PublicPPRGo model in TensorFlow 1, as proposed in "Scaling Graph Neural Networks with Approximate PageRank" (KDD 2020)
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      synthetic_coordinates
synthetic_coordinates PublicSynthetic coordinates for GNNs, as proposed in "Directional Message Passing on Molecular Graphs via Synthetic Coordinates" (NeurIPS 2021)
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dbu-robustness PublicEvaluating Robustness of Predictive Uncertainty Estimation: Are Dirichlet-based Models Reliable ? (ICML 2021)
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TUM-DAML/SISOM2’s past year of commit activity  -           MAGNet Public
Official Implementation of the Paper "MAGNet: Motif-Agnostic Generation of Molecules from Shapes"
TUM-DAML/MAGNet’s past year of commit activity  -           gemnet_tf Public
GemNet model in TensorFlow, as proposed in "GemNet: Universal Directional Graph Neural Networks for Molecules" (NeurIPS 2021)
TUM-DAML/gemnet_tf’s past year of commit activity  -           gemnet_pytorch Public
GemNet model in PyTorch, as proposed in "GemNet: Universal Directional Graph Neural Networks for Molecules" (NeurIPS 2021)
TUM-DAML/gemnet_pytorch’s past year of commit activity  -           synthetic_coordinates Public
Synthetic coordinates for GNNs, as proposed in "Directional Message Passing on Molecular Graphs via Synthetic Coordinates" (NeurIPS 2021)
TUM-DAML/synthetic_coordinates’s past year of commit activity  
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