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    • Python
      0000Updated Mar 10, 2026Mar 10, 2026
    • seml

      Public
      SEML: Slurm Experiment Management Library
      Python
      Other
      36188103Updated Jan 24, 2026Jan 24, 2026
    • Offical Code of the Paper Prior2Former
      Python
      0300Updated Oct 23, 2025Oct 23, 2025
    • Python
      0210Updated Aug 14, 2025Aug 14, 2025
    • SISOM

      Public
      Benchmarking Generalized Out-of-Distribution Detection
      Python
      MIT License
      174000Updated Aug 12, 2025Aug 12, 2025
    • SISOM2

      Public
      0000Updated Aug 12, 2025Aug 12, 2025
    • Templates available for https://github.com/TUM-DAML/seml
      Python
      MIT License
      0000Updated Sep 1, 2024Sep 1, 2024
    • MAGNet

      Public
      Official Implementation of the Paper "MAGNet: Motif-Agnostic Generation of Molecules from Shapes"
      Python
      01510Updated Nov 25, 2023Nov 25, 2023
    • gemnet_tf

      Public
      GemNet model in TensorFlow, as proposed in "GemNet: Universal Directional Graph Neural Networks for Molecules" (NeurIPS 2021)
      Python
      Other
      52700Updated Apr 26, 2023Apr 26, 2023
    • GemNet model in PyTorch, as proposed in "GemNet: Universal Directional Graph Neural Networks for Molecules" (NeurIPS 2021)
      Python
      Other
      3821910Updated Apr 26, 2023Apr 26, 2023
    • Synthetic coordinates for GNNs, as proposed in "Directional Message Passing on Molecular Graphs via Synthetic Coordinates" (NeurIPS 2021)
      Python
      Other
      63200Updated Apr 26, 2023Apr 26, 2023
    • ibmb

      Public
      Influence-Based Mini-Batching (IBMB), as proposed in "Influence-Based Mini-Batching for Graph Neural Networks" (LoG 2022)
      Python
      Other
      31900Updated Dec 21, 2022Dec 21, 2022
    • Evaluating Robustness of Predictive Uncertainty Estimation: Are Dirichlet-based Models Reliable ? (ICML 2021)
      Python
      02800Updated Nov 28, 2022Nov 28, 2022
    • cdvae

      Public
      An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]
      Python
      MIT License
      128100Updated Apr 19, 2022Apr 19, 2022
    • PPRGo model in TensorFlow 1, as proposed in "Scaling Graph Neural Networks with Approximate PageRank" (KDD 2020)
      Python
      Other
      73600Updated Apr 5, 2022Apr 5, 2022
    • PPRGo model in PyTorch, as proposed in "Scaling Graph Neural Networks with Approximate PageRank" (KDD 2020)
      Python
      Other
      1712810Updated Apr 5, 2022Apr 5, 2022
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