Pinned Repositories
cdvae
An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]
dbu-robustness
Evaluating Robustness of Predictive Uncertainty Estimation: Are Dirichlet-based Models Reliable ? (ICML 2021)
gemnet_pytorch
GemNet model in PyTorch, as proposed in "GemNet: Universal Directional Graph Neural Networks for Molecules" (NeurIPS 2021)
gemnet_tf
GemNet model in TensorFlow, as proposed in "GemNet: Universal Directional Graph Neural Networks for Molecules" (NeurIPS 2021)
ibmb
Influence-Based Mini-Batching (IBMB), as proposed in "Influence-Based Mini-Batching for Graph Neural Networks" (LoG 2022)
MAGNet
Official Implementation of the Paper "MAGNet: Motif-Agnostic Generation of Molecules from Shapes"
pprgo_pytorch
PPRGo model in PyTorch, as proposed in "Scaling Graph Neural Networks with Approximate PageRank" (KDD 2020)
pprgo_tensorflow
PPRGo model in TensorFlow 1, as proposed in "Scaling Graph Neural Networks with Approximate PageRank" (KDD 2020)
seml
SEML: Slurm Experiment Management Library
synthetic_coordinates
Synthetic coordinates for GNNs, as proposed in "Directional Message Passing on Molecular Graphs via Synthetic Coordinates" (NeurIPS 2021)
Data Analytics and Machine Learning Group's Repositories
TUM-DAML/gemnet_pytorch
GemNet model in PyTorch, as proposed in "GemNet: Universal Directional Graph Neural Networks for Molecules" (NeurIPS 2021)
TUM-DAML/seml
SEML: Slurm Experiment Management Library
TUM-DAML/pprgo_pytorch
PPRGo model in PyTorch, as proposed in "Scaling Graph Neural Networks with Approximate PageRank" (KDD 2020)
TUM-DAML/pprgo_tensorflow
PPRGo model in TensorFlow 1, as proposed in "Scaling Graph Neural Networks with Approximate PageRank" (KDD 2020)
TUM-DAML/synthetic_coordinates
Synthetic coordinates for GNNs, as proposed in "Directional Message Passing on Molecular Graphs via Synthetic Coordinates" (NeurIPS 2021)
TUM-DAML/dbu-robustness
Evaluating Robustness of Predictive Uncertainty Estimation: Are Dirichlet-based Models Reliable ? (ICML 2021)
TUM-DAML/gemnet_tf
GemNet model in TensorFlow, as proposed in "GemNet: Universal Directional Graph Neural Networks for Molecules" (NeurIPS 2021)
TUM-DAML/ibmb
Influence-Based Mini-Batching (IBMB), as proposed in "Influence-Based Mini-Batching for Graph Neural Networks" (LoG 2022)
TUM-DAML/MAGNet
Official Implementation of the Paper "MAGNet: Motif-Agnostic Generation of Molecules from Shapes"
TUM-DAML/cdvae
An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]
TUM-DAML/seml-templates
Templates available for https://github.com/TUM-DAML/seml