| Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets | May 15, 2022 | Drug DesignGraph Neural Network | CodeCode Available | 2 | 5 |
| Graph Structure Learning for Robust Graph Neural Networks | May 20, 2020 | Graph Neural NetworkGraph structure learning | CodeCode Available | 2 | 5 |
| MHNet: Multi-view High-order Network for Diagnosing Neurodevelopmental Disorders Using Resting-state fMRI | Jul 3, 2024 | Functional ConnectivityGraph Neural Network | CodeCode Available | 2 | 5 |
| Rethinking Graph Neural Networks for Anomaly Detection | May 31, 2022 | Anomaly DetectionGraph Anomaly Detection | CodeCode Available | 2 | 5 |
| RiboDiffusion: Tertiary Structure-based RNA Inverse Folding with Generative Diffusion Models | Apr 17, 2024 | Graph Neural Network | CodeCode Available | 2 | 5 |
| Harnessing Explanations: LLM-to-LM Interpreter for Enhanced Text-Attributed Graph Representation Learning | May 31, 2023 | Decision MakingGeneral Knowledge | CodeCode Available | 2 | 5 |
| Double Difference Earthquake Location with Graph Neural Networks | Oct 25, 2024 | Graph Neural Network | CodeCode Available | 2 | 5 |
| Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs | Jun 23, 2022 | Graph AttentionGraph Neural Network | CodeCode Available | 2 | 5 |
| Generating 3D Molecules for Target Protein Binding | Apr 19, 2022 | Drug DiscoveryGraph Neural Network | CodeCode Available | 2 | 5 |
| Data-Driven Parametrization of Molecular Mechanics Force Fields for Expansive Chemical Space Coverage | Aug 23, 2024 | Computational EfficiencyDrug Discovery | CodeCode Available | 2 | 5 |
| Dynamic GNNs for Precise Seizure Detection and Classification from EEG Data | May 8, 2024 | EEGGraph Classification | CodeCode Available | 2 | 5 |
| CHGNet: Pretrained universal neural network potential for charge-informed atomistic modeling | Feb 28, 2023 | Atomic ForcesGraph Neural Network | CodeCode Available | 2 | 5 |
| FourierGNN: Rethinking Multivariate Time Series Forecasting from a Pure Graph Perspective | Nov 10, 2023 | Graph Neural NetworkMultivariate Time Series Forecasting | CodeCode Available | 2 | 5 |
| GlueStick: Robust Image Matching by Sticking Points and Lines Together | Apr 4, 2023 | Graph Neural NetworkPose Estimation | CodeCode Available | 2 | 5 |
| GNS: A generalizable Graph Neural Network-based simulator for particulate and fluid modeling | Nov 18, 2022 | Graph Neural Network | CodeCode Available | 2 | 5 |
| Graph4Rec: A Universal Toolkit with Graph Neural Networks for Recommender Systems | Dec 2, 2021 | graph constructionGraph Neural Network | CodeCode Available | 2 | 5 |
| Graph Neural Network-based surrogate model for granular flows | May 9, 2023 | Graph Neural Network | CodeCode Available | 2 | 5 |
| Heterogeneous Multi-Robot Reinforcement Learning | Jan 17, 2023 | Graph Neural NetworkMulti-agent Reinforcement Learning | CodeCode Available | 2 | 5 |
| Joint Admission Control and Resource Allocation of Virtual Network Embedding via Hierarchical Deep Reinforcement Learning | Jun 25, 2024 | Combinatorial OptimizationGraph Neural Network | CodeCode Available | 2 | 5 |
| Decoupled Dynamic Spatial-Temporal Graph Neural Network for Traffic Forecasting | Jun 18, 2022 | Graph LearningGraph Neural Network | CodeCode Available | 2 | 5 |
| LightGNN: Simple Graph Neural Network for Recommendation | Jan 6, 2025 | Computational EfficiencyGraph Neural Network | CodeCode Available | 2 | 5 |
| ChemReasoner: Heuristic Search over a Large Language Model's Knowledge Space using Quantum-Chemical Feedback | Feb 15, 2024 | Computational chemistryGraph Neural Network | CodeCode Available | 2 | 5 |
| ASGEA: Exploiting Logic Rules from Align-Subgraphs for Entity Alignment | Feb 16, 2024 | Entity AlignmentGraph Neural Network | CodeCode Available | 2 | 5 |
| OcclusionFusion: Occlusion-aware Motion Estimation for Real-time Dynamic 3D Reconstruction | Mar 15, 2022 | 3D ReconstructionGraph Neural Network | CodeCode Available | 2 | 5 |
| chemtrain-deploy: A parallel and scalable framework for machine learning potentials in million-atom MD simulations | Jun 4, 2025 | Graph Neural Network | CodeCode Available | 2 | 5 |
