{"total":35,"rows":[{"id":"2411.12078","title":"Molecule Generation with Fragment Retrieval Augmentation","created":"2024-11-18","cited_by_count":23,"area":null},{"id":"2310.02807","title":"A Deep Instance Generative Framework for MILP Solvers Under Limited Data Availability","created":"2023-10-04","cited_by_count":21,"area":null},{"id":"2306.01474","title":"Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning","created":"2023-06-02","cited_by_count":19,"area":null},{"id":"2310.00841","title":"Drug Discovery with Dynamic Goal-aware Fragments","created":"2023-10-02","cited_by_count":19,"area":null},{"id":"2401.06155","title":"De novo Drug Design using Reinforcement Learning with Multiple GPT Agents","created":"2023-12-21","cited_by_count":19,"area":null},{"id":"2309.04589","title":"Motif-aware Attribute Masking for Molecular Graph Pre-training","created":"2023-09-08","cited_by_count":16,"area":null},{"id":"2406.08210","title":"Expressivity and Generalization: Fragment-Biases for Molecular GNNs","created":"2024-06-12","cited_by_count":9,"area":null},{"id":"2305.19303","title":"MAGNet: Motif-Agnostic Generation of Molecules from Shapes","created":"2023-05-30","cited_by_count":7,"area":null},{"id":"2401.05960","title":"Machine Learning Insides OptVerse AI Solver: Design Principles and Applications","created":"2024-01-11","cited_by_count":7,"area":null},{"id":"2407.19039","title":"GraphBPE: Molecular Graphs Meet Byte-Pair Encoding","created":"2024-07-26","cited_by_count":7,"area":null},{"id":"2503.07981","title":"Regulatory DNA sequence Design with Reinforcement Learning","created":"2025-03-11","cited_by_count":6,"area":null},{"id":"2306.16085","title":"Mass Spectra Prediction with Structural Motif-based Graph Neural Networks","created":"2023-06-28","cited_by_count":5,"area":null},{"id":"2504.16559","title":"Synergistic Benefits of Joint Molecule Generation and Property Prediction","created":"2025-04-23","cited_by_count":5,"area":null},{"id":"2405.05293","title":"A Review on Fragment-based De Novo 2D Molecule Generation","created":"2024-05-08","cited_by_count":4,"area":null},{"id":"2408.07088","title":"Learning Rule-Induced Subgraph Representations for Inductive Relation Prediction","created":"2024-08-09","cited_by_count":4,"area":null},{"id":"2410.24012","title":"Diffusion Twigs with Loop Guidance for Conditional Graph Generation","created":"2024-10-31","cited_by_count":4,"area":null},{"id":"2405.02845","title":"Data-Efficient Molecular Generation with Hierarchical Textual Inversion","created":"2024-05-05","cited_by_count":3,"area":null},{"id":"2405.16041","title":"Explainable Molecular Property Prediction: Aligning Chemical Concepts with Predictions via Language Models","created":"2024-05-25","cited_by_count":3,"area":null},{"id":"2407.03125","title":"Foundations and Frontiers of Graph Learning Theory","created":"2024-07-03","cited_by_count":3,"area":null},{"id":"2502.19693","title":"Accurate and Scalable Graph Neural Networks via Message Invariance","created":"2025-02-27","cited_by_count":3,"area":null},{"id":"2505.19014","title":"Tokenizing Electron Cloud in Protein-Ligand Interaction Learning","created":"2025-05-25","cited_by_count":3,"area":null},{"id":"2506.01302","title":"Recent Developments in GNNs for Drug Discovery","created":"2025-06-02","cited_by_count":3,"area":null},{"id":"2601.16955","title":"3D Molecule Generation from Rigid Motifs via SE(3) Flows","created":"2026-01-23","cited_by_count":3,"area":null},{"id":"2502.17349","title":"HybridLinker: Topology-Guided Posterior Sampling for Enhanced Diversity and Validity in 3D Molecular Linker Generation","created":"2025-02-24","cited_by_count":2,"area":null},{"id":"2604.23307","title":"CombiMOTS: Combinatorial Multi-Objective Tree Search for Dual-Target Molecule Generation","created":"2026-04-25","cited_by_count":2,"area":null},{"id":"2509.04476","title":"Training Text-to-Molecule Models with Context-Aware Tokenization","created":"2025-08-30","cited_by_count":1,"area":null},{"id":"2602.16954","title":"Neural Proposals, Symbolic Guarantees: Neuro-Symbolic Graph Generative Modeling","created":"2026-02-18","cited_by_count":1,"area":null},{"id":"2401.07657","title":"Empirical Evidence for the Fragment level Understanding on Drug Molecular Structure of LLMs","created":"2024-01-15","cited_by_count":0,"area":null},{"id":"2409.08580","title":"Molecular Graph Representation Learning via Structural Similarity Information","created":"2024-09-13","cited_by_count":0,"area":null},{"id":"2503.08160","title":"Concept-Driven Deep Learning for Enhanced Protein-Specific Molecular Generation","created":"2025-03-11","cited_by_count":0,"area":null},{"id":"2512.19736","title":"CoPHo: Classifier-guided Conditional Topology Generation with Persistent Homology","created":"2025-12-17","cited_by_count":0,"area":null},{"id":"2601.02530","title":"Multi-scale Graph Autoregressive Modeling: Molecular Property Prediction via Next Token Prediction","created":"2026-01-05","cited_by_count":0,"area":null},{"id":"2604.23134","title":"h-MINT: Modeling Pocket-Ligand Binding with Hierarchical Molecular Interaction Network","created":"2026-04-25","cited_by_count":0,"area":null},{"id":"2610.02186","title":"Higher-Order Molecular Grammars for Generative and Foundation Models in Chemistry","created":"2026-10-01","cited_by_count":0,"area":null},{"id":"2610.18438","title":"STAMP as a topology-aware molecular language for fragment-level learning and editing","created":"2026-10-13","cited_by_count":0,"area":null}],"next_cursor":null}