{"total":35,"rows":[{"id":"2410.04542","title":"Generative Flows on Synthetic Pathway for Drug Design","created":"2024-10-06","cited_by_count":20,"area":null},{"id":"2406.10840","title":"CBGBench: Fill in the Blank of Protein-Molecule Complex Binding Graph","created":"2024-06-16","cited_by_count":19,"area":null},{"id":"2410.11443","title":"Are High-Degree Representations Really Unnecessary in Equivariant Graph Neural Networks?","created":"2024-10-15","cited_by_count":18,"area":null},{"id":"2502.02016","title":"A Periodic Bayesian Flow for Material Generation","created":"2025-02-04","cited_by_count":16,"area":null},{"id":"2503.19300","title":"UniMoMo: Unified Generative Modeling of 3D Molecules for De Novo Binder Design","created":"2025-03-25","cited_by_count":12,"area":null},{"id":"2410.07919","title":"Advancing biomolecular understanding and design following human instructions","created":"2024-10-10","cited_by_count":10,"area":null},{"id":"2411.13280","title":"Empower Structure-Based Molecule Optimization with Gradient Guided Bayesian Flow Networks","created":"2024-11-20","cited_by_count":6,"area":null},{"id":"2505.07286","title":"Piloting Structure-Based Drug Design via Modality-Specific Optimal Schedule","created":"2025-05-12","cited_by_count":6,"area":null},{"id":"2509.01486","title":"Prior-Guided Flow Matching for Target-Aware Molecule Design with Learnable Atom Number","created":"2025-09-01","cited_by_count":6,"area":null},{"id":"2506.00771","title":"Manipulating 3D Molecules in a Fixed-Dimensional E(3)-Equivariant Latent Space","created":"2025-06-01","cited_by_count":3,"area":null},{"id":"2510.02578","title":"FLOWR.root: A flow matching based foundation model for joint multi-purpose structure-aware 3D ligand generation and affinity prediction","created":"2025-10-02","cited_by_count":3,"area":null},{"id":"2511.15906","title":"Unified all-atom molecule generation with neural fields","created":"2025-11-19","cited_by_count":3,"area":null},{"id":"2503.03989","title":"Integrating Protein Dynamics into Structure-Based Drug Design via Full-Atom Stochastic Flows","created":"2025-03-06","cited_by_count":2,"area":null},{"id":"2508.21468","title":"Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration","created":"2025-08-29","cited_by_count":2,"area":null},{"id":"2510.27671","title":"MolChord: Structure-Sequence Alignment for Protein-Guided Drug Design","created":"2025-10-31","cited_by_count":2,"area":null},{"id":"2406.08980","title":"From Theory to Therapy: Reframing SBDD Model Evaluation via Practical Metrics","created":"2024-06-13","cited_by_count":1,"area":null},{"id":"2507.08920","title":"AMix-1: A Pathway to Test-Time Scalable Protein Foundation Model","created":"2025-07-11","cited_by_count":1,"area":null},{"id":"2507.13762","title":"MolPIF: A Parameter Interpolation Flow Model for Molecule Generation","created":"2025-07-18","cited_by_count":1,"area":null},{"id":"2508.10775","title":"IBEX: Information-Bottleneck-EXplored Coarse-to-Fine Molecular Generation under Limited Data","created":"2025-08-14","cited_by_count":1,"area":null},{"id":"2510.10211","title":"Transport-Coupled Bayesian Flows for Molecular Graph Generation","created":"2025-10-11","cited_by_count":1,"area":null},{"id":"2603.07371","title":"ConfHit: Conformal Generative Design with Oracle Free Guarantees","created":"2026-03-07","cited_by_count":1,"area":null},{"id":"2607.00464","title":"MolSafeEval: A Benchmark for Uncovering Safety Risks in AI-Generated Molecules","created":"2026-07-01","cited_by_count":1,"area":null},{"id":"2412.11439","title":"Sampling Out-of-Distribution Chemical Spaces via Bayesian Flow","created":"2024-12-16","cited_by_count":0,"area":null},{"id":"2503.21788","title":"PharMolixFM: All-Atom Foundation Models for Molecular Modeling and Generation","created":"2025-03-12","cited_by_count":0,"area":null},{"id":"2507.12574","title":"Assay2Mol: large language model-based drug design using BioAssay context","created":"2025-07-16","cited_by_count":0,"area":null},{"id":"2508.17702","title":"MolMark: Safeguarding Molecular Structures through Learnable Atom-Level Watermarking","created":"2025-08-25","cited_by_count":0,"area":null},{"id":"2509.25225","title":"MSCoD: An Enhanced Bayesian Updating Framework with Multi-Scale Information Bottleneck and Cooperative Attention for Structure-Based Drug Design","created":"2025-09-24","cited_by_count":0,"area":null},{"id":"2511.09529","title":"SiDGen: Structure-informed Diffusion for Generative modeling of Ligands for Proteins","created":"2025-11-12","cited_by_count":0,"area":null},{"id":"2511.12489","title":"SculptDrug : A Spatial Condition-Aware Bayesian Flow Model for Structure-based Drug Design","created":"2025-11-16","cited_by_count":0,"area":null},{"id":"2601.22466","title":"EvoEGF-Mol: Evolving Exponential Geodesic Flow for Structure-based Drug Design","created":"2026-01-30","cited_by_count":0,"area":null},{"id":"2602.21565","title":"Routing by Reaching: Composition of Pre-trained GFlowNets for Multi-Objective Generation","created":"2026-02-25","cited_by_count":0,"area":null},{"id":"2605.08767","title":"From Holo Pockets to Electron Density: GPT-style Drug Design with Density","created":"2026-05-09","cited_by_count":0,"area":null},{"id":"2606.01628","title":"Demystifying Multimodal Biomolecular Co-design With Intrinsic Geodesic Coupling","created":"2026-06-01","cited_by_count":0,"area":null},{"id":"2608.01007","title":"Fused Bayesian Flow Networks for Dual-Target Molecular Design","created":"2026-08-02","cited_by_count":0,"area":null},{"id":"2609.10099","title":"A Systematic Evaluation of Molecule Generation Models for De Novo Drug Design: From Benchmarks to Practical Insights","created":"2026-09-09","cited_by_count":0,"area":null}],"next_cursor":null}