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@TUM-DAML

Data Analytics and Machine Learning Group

Popular repositories

  1. gemnet_pytorch gemnet_pytorch Public

    GemNet model in PyTorch, as proposed in "GemNet: Universal Directional Graph Neural Networks for Molecules" (NeurIPS 2021)

    Python 166 26

  2. seml seml Public

    SEML: Slurm Experiment Management Library

    Python 162 29

  3. pprgo_pytorch pprgo_pytorch Public

    PPRGo model in PyTorch, as proposed in "Scaling Graph Neural Networks with Approximate PageRank" (KDD 2020)

    Python 124 17

  4. pprgo_tensorflow pprgo_tensorflow Public

    PPRGo model in TensorFlow 1, as proposed in "Scaling Graph Neural Networks with Approximate PageRank" (KDD 2020)

    Python 36 7

  5. synthetic_coordinates synthetic_coordinates Public

    Synthetic coordinates for GNNs, as proposed in "Directional Message Passing on Molecular Graphs via Synthetic Coordinates" (NeurIPS 2021)

    Python 28 5

  6. dbu-robustness dbu-robustness Public

    Evaluating Robustness of Predictive Uncertainty Estimation: Are Dirichlet-based Models Reliable ? (ICML 2021)

    Python 26

Repositories

Showing 10 of 11 repositories
  • seml Public

    SEML: Slurm Experiment Management Library

    Python 162 29 8 2 Updated May 5, 2024
  • seml-templates Public

    Templates available for https://github.com/TUM-DAML/seml

    Python 0 MIT 0 0 0 Updated Mar 5, 2024
  • MAGNet Public

    Official Implementation of the Paper "MAGNet: Motif-Agnostic Generation of Molecules from Shapes"

    Python 11 0 0 0 Updated Nov 25, 2023
  • gemnet_tf Public

    GemNet model in TensorFlow, as proposed in "GemNet: Universal Directional Graph Neural Networks for Molecules" (NeurIPS 2021)

    Python 23 3 0 0 Updated Apr 26, 2023
  • gemnet_pytorch Public

    GemNet model in PyTorch, as proposed in "GemNet: Universal Directional Graph Neural Networks for Molecules" (NeurIPS 2021)

    Python 166 26 0 0 Updated Apr 26, 2023
  • synthetic_coordinates Public

    Synthetic coordinates for GNNs, as proposed in "Directional Message Passing on Molecular Graphs via Synthetic Coordinates" (NeurIPS 2021)

    Python 28 5 0 0 Updated Apr 26, 2023
  • ibmb Public

    Influence-Based Mini-Batching (IBMB), as proposed in "Influence-Based Mini-Batching for Graph Neural Networks" (LoG 2022)

    Python 17 2 0 0 Updated Dec 21, 2022
  • dbu-robustness Public

    Evaluating Robustness of Predictive Uncertainty Estimation: Are Dirichlet-based Models Reliable ? (ICML 2021)

    Python 26 0 0 0 Updated Nov 28, 2022
  • cdvae Public Forked from txie-93/cdvae

    An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]

    Python 1 MIT 82 0 0 Updated Apr 19, 2022
  • pprgo_tensorflow Public

    PPRGo model in TensorFlow 1, as proposed in "Scaling Graph Neural Networks with Approximate PageRank" (KDD 2020)

    Python 36 7 0 0 Updated Apr 5, 2022

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