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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
pprgo_pytorch PublicPPRGo model in PyTorch, as proposed in "Scaling Graph Neural Networks with Approximate PageRank" (KDD 2020)
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pprgo_tensorflow
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
dbu-robustness PublicEvaluating Robustness of Predictive Uncertainty Estimation: Are Dirichlet-based Models Reliable ? (ICML 2021)
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- 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 - ibmb Public
Influence-Based Mini-Batching (IBMB), as proposed in "Influence-Based Mini-Batching for Graph Neural Networks" (LoG 2022)
TUM-DAML/ibmb’s past year of commit activity - dbu-robustness Public
Evaluating Robustness of Predictive Uncertainty Estimation: Are Dirichlet-based Models Reliable ? (ICML 2021)
TUM-DAML/dbu-robustness’s past year of commit activity - cdvae Public Forked from txie-93/cdvae
An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]
TUM-DAML/cdvae’s past year of commit activity - pprgo_tensorflow Public
PPRGo model in TensorFlow 1, as proposed in "Scaling Graph Neural Networks with Approximate PageRank" (KDD 2020)
TUM-DAML/pprgo_tensorflow’s past year of commit activity
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