{"total":21,"rows":[{"id":"2402.09391","title":"LlaSMol: Advancing Large Language Models for Chemistry with a Large-Scale, Comprehensive, High-Quality Instruction Tuning Dataset","created":"2024-02-14","cited_by_count":128,"area":null},{"id":"2405.12519","title":"MAGE: Model-Level Graph Neural Networks Explanations via Motif-based Graph Generation","created":"2024-05-21","cited_by_count":7,"area":null},{"id":"2411.01667","title":"GraphXForm: Graph transformer for computer-aided molecular design","created":"2024-11-03","cited_by_count":6,"area":null},{"id":"2504.10655","title":"MatterTune: An Integrated, User-Friendly Platform for Fine-Tuning Atomistic Foundation Models to Accelerate Materials Simulation and Discovery","created":"2025-04-14","cited_by_count":5,"area":null},{"id":"2603.00618","title":"Multi-Domain Riemannian Graph Gluing for Building Graph Foundation Models","created":"2026-02-28","cited_by_count":5,"area":null},{"id":"2603.12635","title":"Adaptive Diffusion Posterior Sampling for Data and Model Fusion of Complex Nonlinear Dynamical Systems","created":"2026-03-13","cited_by_count":3,"area":null},{"id":"2404.09606","title":"A Self-feedback Knowledge Elicitation Approach for Chemical Reaction Predictions","created":"2024-04-15","cited_by_count":2,"area":null},{"id":"2412.04064","title":"Graph Neural Networks Need Cluster-Normalize-Activate Modules","created":"2024-12-05","cited_by_count":2,"area":null},{"id":"2503.01361","title":"Statistical physics analysis of graph neural networks: Approaching optimality in the contextual stochastic block model","created":"2025-03-03","cited_by_count":2,"area":null},{"id":"2505.21285","title":"Learnable Kernel Density Estimation for Graphs and Its Application to Graph-Level Anomaly Detection","created":"2025-05-27","cited_by_count":2,"area":null},{"id":"2506.23339","title":"VALID-Mol: a Systematic Framework for Validated LLM-Assisted Molecular Design","created":"2025-06-29","cited_by_count":2,"area":null},{"id":"2502.01430","title":"Molecular Odor Prediction Based on Multi-Feature Graph Attention Networks","created":"2025-02-03","cited_by_count":1,"area":null},{"id":"2508.05427","title":"Large Language Models Transform Organic Synthesis From Reaction Prediction to Automation","created":"2025-08-07","cited_by_count":1,"area":null},{"id":"2404.10003","title":"Lightweight Geometric Deep Learning for Molecular Modelling in Catalyst Discovery","created":"2024-04-05","cited_by_count":0,"area":null},{"id":"2502.06126","title":"Graph Pseudotime Analysis and Neural Stochastic Differential Equations for Analyzing Retinal Degeneration Dynamics and Beyond","created":"2025-02-10","cited_by_count":0,"area":null},{"id":"2503.11215","title":"Spatio-Temporal Graph Structure Learning for Earthquake Detection","created":"2025-03-14","cited_by_count":0,"area":null},{"id":"2509.17174","title":"Self-Supervised Discovery of Neural Circuits in Spatially Patterned Neural Responses with Graph Neural Networks","created":"2025-09-21","cited_by_count":0,"area":null},{"id":"2601.15474","title":"BadImplant: Injection-based Multi-Targeted Graph Backdoor Attack","created":"2026-01-21","cited_by_count":0,"area":null},{"id":"2602.00407","title":"Fed-Listing: Federated Label Distribution Inference in Graph Neural Networks","created":"2026-01-30","cited_by_count":0,"area":null},{"id":"2606.09520","title":"Closing the Prior-Posterior Loop: Self-Reflective Molecular Design with Analysis-Driven LLM Iteration","created":"2026-06-08","cited_by_count":0,"area":null},{"id":"2608.23874","title":"Differential Learning for Robust Prediction of Thermal Stability with Application to Energetic Materials","created":"2026-08-24","cited_by_count":0,"area":null}],"next_cursor":null}