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@TUM-DAML

Data Analytics and Machine Learning Group

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  1. gemnet_pytorch gemnet_pytorch Public

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

    Python 184 29

  2. seml seml Public

    SEML: Slurm Experiment Management Library

    Python 171 30

  3. pprgo_pytorch pprgo_pytorch Public

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

    Python 127 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 29 5

  6. dbu-robustness dbu-robustness Public

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

    Python 27

Repositories

Showing 10 of 11 repositories
  • seml Public

    SEML: Slurm Experiment Management Library

    TUM-DAML/seml’s past year of commit activity
    Python 171 30 10 0 Updated Nov 7, 2024
  • TUM-DAML/seml-templates’s past year of commit activity
    Python 0 MIT 0 0 0 Updated Sep 1, 2024
  • MAGNet Public

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

    TUM-DAML/MAGNet’s past year of commit activity
    Python 13 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)

    TUM-DAML/gemnet_tf’s past year of commit activity
    Python 24 4 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)

    TUM-DAML/gemnet_pytorch’s past year of commit activity
    Python 184 29 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)

    TUM-DAML/synthetic_coordinates’s past year of commit activity
    Python 29 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)

    TUM-DAML/ibmb’s past year of commit activity
    Python 19 3 0 0 Updated Dec 21, 2022
  • 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
    Python 27 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]

    TUM-DAML/cdvae’s past year of commit activity
    Python 1 MIT 97 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)

    TUM-DAML/pprgo_tensorflow’s past year of commit activity
    Python 36 7 0 0 Updated Apr 5, 2022

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