| Benchmarking Graphormer on Large-Scale Molecular Modeling Datasets | Mar 9, 2022 | BenchmarkingGraph Regression | CodeCode Available | 4 | 5 |
| Highly Accurate Quantum Chemical Property Prediction with Uni-Mol+ | Mar 16, 2023 | BenchmarkingGraph Regression | CodeCode Available | 3 | 5 |
| Molecular Fingerprints Are Strong Models for Peptide Function Prediction | Jan 29, 2025 | Graph ClassificationGraph Regression | CodeCode Available | 3 | 5 |
| Graph Neural Networks in TensorFlow and Keras with Spektral | Jun 22, 2020 | Deep LearningGeneral Classification | CodeCode Available | 2 | 5 |
| Triplet Interaction Improves Graph Transformers: Accurate Molecular Graph Learning with Triplet Graph Transformers | Feb 7, 2024 | Drug DiscoveryGraph Learning | CodeCode Available | 2 | 5 |
| Unlocking the Potential of Classic GNNs for Graph-level Tasks: Simple Architectures Meet Excellence | Feb 13, 2025 | Graph ClassificationGraph Property Prediction | CodeCode Available | 2 | 5 |
| Do Transformers Really Perform Bad for Graph Representation? | Jun 9, 2021 | Graph ClassificationGraph Property Prediction | CodeCode Available | 2 | 5 |
| KAGNNs: Kolmogorov-Arnold Networks meet Graph Learning | Jun 26, 2024 | Graph ClassificationGraph Learning | CodeCode Available | 2 | 5 |
| One Transformer Can Understand Both 2D & 3D Molecular Data | Oct 4, 2022 | Graph Regressionmolecular representation | CodeCode Available | 2 | 5 |
| An end-to-end attention-based approach for learning on graphs | Feb 16, 2024 | Graph ClassificationGraph Regression | CodeCode Available | 2 | 5 |
| Benchmarking Graph Neural Networks | Mar 2, 2020 | BenchmarkingGraph Classification | CodeCode Available | 2 | 5 |
| Recipe for a General, Powerful, Scalable Graph Transformer | May 25, 2022 | Graph ClassificationGraph Property Prediction | CodeCode Available | 2 | 5 |
| GotenNet: Rethinking Efficient 3D Equivariant Graph Neural Networks | Apr 24, 2025 | Atomic ForcesComputational Efficiency | CodeCode Available | 2 | 5 |
| Automatic Relation-aware Graph Network Proliferation | May 31, 2022 | Graph ClassificationGraph Learning | CodeCode Available | 1 | 5 |
| How Attentive are Graph Attention Networks? | May 30, 2021 | Graph AttentionGraph Classification | CodeCode Available | 1 | 5 |
| MEGAN: Multi-Explanation Graph Attention Network | Nov 23, 2022 | Explainable artificial intelligenceGraph Attention | CodeCode Available | 1 | 5 |
| Multilevel Graph Matching Networks for Deep Graph Similarity Learning | Jul 8, 2020 | Graph ClassificationGraph Matching | CodeCode Available | 1 | 5 |
| A Comprehensive Graph Pooling Benchmark: Effectiveness, Robustness and Generalizability | Jun 13, 2024 | Graph ClassificationGraph Regression | CodeCode Available | 1 | 5 |
| How Powerful are Graph Neural Networks? | Oct 1, 2018 | General ClassificationGraph Classification | CodeCode Available | 1 | 5 |
| Long Range Graph Benchmark | Jun 16, 2022 | BenchmarkingGraph Classification | CodeCode Available | 1 | 5 |
| Graph neural networks with configuration cross-attention for tensor compilers | May 26, 2024 | Graph Property PredictionGraph Regression | CodeCode Available | 1 | 5 |
| Inductive Representation Learning on Large Graphs | Jun 7, 2017 | Graph ClassificationGraph Regression | CodeCode Available | 1 | 5 |
| Learning Efficient Positional Encodings with Graph Neural Networks | Feb 3, 2025 | Graph RegressionGraph Representation Learning | CodeCode Available | 1 | 5 |
| Learning Probabilistic Symmetrization for Architecture Agnostic Equivariance | Jun 5, 2023 | Graph ClassificationGraph Regression | CodeCode Available | 1 | 5 |
| A physics-informed neural network for wind turbine main bearing fatigue | May 5, 2020 | Graph RegressionGraph-to-Sequence | CodeCode Available | 1 | 5 |
| TREE-G: Decision Trees Contesting Graph Neural Networks | Jul 6, 2022 | Graph ClassificationGraph Learning | CodeCode Available | 1 | 5 |
| DeSCo: Towards Generalizable and Scalable Deep Subgraph Counting | Aug 16, 2023 | Graph Neural NetworkGraph Regression | CodeCode Available | 1 | 5 |
| A Generalization of Transformer Networks to Graphs | Dec 17, 2020 | Graph RegressionInductive Bias | CodeCode Available | 1 | 5 |
| Directional Graph Networks | Oct 6, 2020 | Data AugmentationGraph Classification | CodeCode Available | 1 | 5 |
| A New Perspective on the Effects of Spectrum in Graph Neural Networks | Dec 14, 2021 | Graph ClassificationGraph Property Prediction | CodeCode Available | 1 | 5 |
| Graph Rationalization with Environment-based Augmentations | Jun 6, 2022 | Graph RegressionProperty Prediction | CodeCode Available | 1 | 5 |
| Improving the Effective Receptive Field of Message-Passing Neural Networks | May 29, 2025 | Graph ClassificationGraph Regression | CodeCode Available | 1 | 5 |
| Learning Graph Normalization for Graph Neural Networks | Sep 24, 2020 | Graph ClassificationGraph Regression | CodeCode Available | 1 | 5 |
| Exphormer: Sparse Transformers for Graphs | Mar 10, 2023 | Graph ClassificationGraph Learning | CodeCode Available | 1 | 5 |
| Graph-level Representation Learning with Joint-Embedding Predictive Architectures | Sep 27, 2023 | Contrastive LearningData Augmentation | CodeCode Available | 1 | 5 |
| Graph Convolutions Enrich the Self-Attention in Transformers! | Dec 7, 2023 | Clone Detection | CodeCode Available | 1 | 5 |
| Building powerful and equivariant graph neural networks with structural message-passing | Jun 26, 2020 | Graph RegressionInductive Bias | CodeCode Available | 1 | 5 |
| Walking Out of the Weisfeiler Leman Hierarchy: Graph Learning Beyond Message Passing | Feb 17, 2021 | Graph ClassificationGraph Learning | CodeCode Available | 1 | 5 |
| Factorizable Graph Convolutional Networks | Oct 12, 2020 | Graph ClassificationGraph Regression | CodeCode Available | 1 | 5 |
| CIN++: Enhancing Topological Message Passing | Jun 6, 2023 | Graph ClassificationGraph Regression | CodeCode Available | 1 | 5 |
| Fleet Prognosis with Physics-informed Recurrent Neural Networks | Jan 16, 2019 | Graph RegressionGraph-to-Sequence | CodeCode Available | 1 | 5 |
| CKGConv: General Graph Convolution with Continuous Kernels | Apr 21, 2024 | Graph ClassificationGraph Learning | CodeCode Available | 1 | 5 |
| Graph Inductive Biases in Transformers without Message Passing | May 27, 2023 | Graph ClassificationGraph Regression | CodeCode Available | 1 | 5 |
| Graph Propagation Transformer for Graph Representation Learning | May 19, 2023 | Graph LearningGraph Property Prediction | CodeCode Available | 1 | 5 |
| GRPE: Relative Positional Encoding for Graph Transformer | Jan 30, 2022 | Graph ClassificationGraph Regression | CodeCode Available | 1 | 5 |
| Graph Neural Networks with Learnable Structural and Positional Representations | Oct 15, 2021 | Graph RegressionKnowledge Graphs | CodeCode Available | 1 | 5 |
| Global Self-Attention as a Replacement for Graph Convolution | Aug 7, 2021 | Edge ClassificationGraph Classification | CodeCode Available | 1 | 5 |
| A Generalization of ViT/MLP-Mixer to Graphs | Dec 27, 2022 | Graph ClassificationGraph Regression | CodeCode Available | 1 | 5 |
| DropGNN: Random Dropouts Increase the Expressiveness of Graph Neural Networks | Nov 11, 2021 | Graph ClassificationGraph Regression | CodeCode Available | 1 | 5 |
| DRew: Dynamically Rewired Message Passing with Delay | May 13, 2023 | Graph ClassificationGraph Regression | CodeCode Available | 1 | 5 |
