分子建模论文趋势 2023–2026
分子性质与生成
统计范围：NeurIPS、ICLR、ICML、CVPR 四个会议，2023–2026 年，共 1,038 篇被归入该主题的论文。
主要结论
- 分子建模论文从 2023 年的 137 篇增长到 2026 年的 373 篇，三年间扩大到约 2.7 倍。
- NeurIPS 是发分子建模论文最多的会议，2023–2026 年共 351 篇，占四个会议总量的 34%。
- 交叉方向里涨得最快的是应用 · chemistry physics and earth sciences：同时属于两个主题的论文从 2023 年的 5 篇增至 2026 年的 59 篇。
- 在「图与结构化数据」的 5 个主题里，它的 2026 年论文数排第 3；同组增长最快的时间序列是 3.2 倍，分子建模是 2.7 倍。
各会议论文数
按年份和会议统计
| 年份 | NeurIPS | ICLR | ICML | CVPR | 合计 |
|---|---|---|---|---|---|
| 2023 | 27 | 44 | 21 | 45 | 137 |
| 2024 | 78 | 38 | 60 | 31 | 207 |
| 2025 | 132 | 80 | 63 | 46 | 321 |
| 2026 | 114 | 90 | 107 | 62 | 373 |
代表论文
按年份和会议均匀挑选，方便快速看到每一届的样貌
- NeurIPS 2026Atomic Trajectory Modeling with State Space Models for Biomolecular Dynamics
- ICML 2026Controlled SDEs for Long-Horizon Motion Generation under Latent Decision Uncertainty
- ICLR 2026A Scalable Inter-edge Correlation Modeling in CopulaGNN for Link Sign Prediction
- CVPR 2026CARE A Molecular-Guided Foundation Model with Adaptive Region Modeling for
- NeurIPS 20253D-GSRD: 3D Molecular Graph Auto-Encoder with Selective Re-mask Decoding
- ICML 2025BAnG: Bidirectional Anchored Generation for Conditional RNA Design
- ICLR 20253D-MolT5: Leveraging Discrete Structural Information for Molecule-Text Modeling
- CVPR 2025Bridging Gait Recognition and Large Language Models Sequence Modeling
- NeurIPS 20244DBInfer: A 4D Benchmarking Toolbox for Graph-Centric Predictive Modeling on RDBs
- ICML 2024An amortized approach to non-linear mixed-effects modeling based on neural posterior estimation
- ICLR 2024$\texttt{NAISR}$: A 3D Neural Additive Model for Interpretable Shape Representation
- CVPR 2024EVS-assisted Joint Deblurring Rolling-Shutter Correction and Video Frame Interpolation through Sensor Inverse Modeling
- NeurIPS 2023Learning Invariant Molecular Representation in Latent Discrete Space
- ICML 2023Biases in Evaluation of Molecular Optimization Methods and Bias Reduction Strategies
- ICLR 2023$\mathcal{O}$-GNN: incorporating ring priors into molecular modeling
- CVPR 2023BAAM: Monocular 3D Pose and Shape Reconstruction With Bi-Contextual Attention Module and Attention-Guided Modeling
- NeurIPS 2026CausalBind: Causal Modeling and Learning for Protein-Molecule Virtual Screening
- ICML 2026Efficient Continuous-Depth Modeling with GRU Equivalents
- ICLR 2026Anime-Ready: Controllable 3D Anime Character Generation with Body-Aligned Component-Wise Garment Modeling
- CVPR 2026Continuous Exposure-Time Modeling for Realistic Atmospheric Turbulence Synthesis
全部分子建模论文
共 1,038 篇，第 6 / 21 页
- ICML 2026TD3B: Transition-Directed Discrete Diffusion for Allosteric Binder Generation
- ICML 2026Teaching Molecular Dynamics to a Non-Autoregressive Ionic Transport Predictor
- ICML 2026TEFormer: Structured Bidirectional Temporal Enhancement Modeling in Spiking Transformers
- ICML 2026The Efficiency Gap in Byte Modeling
- ICML 2026Towards Sub-Second Molecular Docking as a Structural Primitive: A Quantized Consistency Diffusion Framework
- ICML 2026Unraveling Syntax: Language Modeling and the Substructure of Grammars
- ICML 2026Variational Learning for Insertion-based Generation
- ICML 2026VecMol: Vector-Field Representations for 3D Molecule Generation
- ICML 2026VeriSimpl: Robust Optimization Modeling from Natural Language using Simplification-based Verification
- NeurIPS 2026Accelerating Diffusion Language Models via Structured Suffix Modeling
- NeurIPS 2026ACER: Towards Generalizable Protein-ligand Co-folding
- NeurIPS 2026Agentic Reward Modeling: Verifying GUI Agent via Progressive Trajectory-Grounded Interaction
- NeurIPS 2026Align as You Couple: Learning Spatial Resolved Inference from H&E Images with Mollified Flow Matching
- NeurIPS 2026Amortized Molecular Optimization via Group Relative Policy Optimization
- NeurIPS 2026AnyMo: Geometry-Aware Setup-Agnostic Modeling of Human Motion in the Wild
- NeurIPS 2026AtlasVid: Efficient Ultra-High-Resolution Long Video Generation via Decoupled Global-Local Modeling
- NeurIPS 2026Atomic Trajectory Modeling with State Space Models for Biomolecular Dynamics
- NeurIPS 2026Bernoulli Flow Models: Self-Consistent Generative Modeling for Binary Data
- NeurIPS 2026Beyond Drug Discovery: The Nanotechnology Molecular Optimization (NMO) Benchmark
- NeurIPS 2026BrainVista: Modeling Naturalistic Brain Dynamics as Multimodal Next-Token Prediction
- NeurIPS 2026Bridging 1D, 2D, and 3D with Any-to-Any Multimodal Modeling
- NeurIPS 2026Bridging the Modality Bottleneck in Pathology MIL through Virtual Molecular Staining
- NeurIPS 2026CausalBind: Causal Modeling and Learning for Protein-Molecule Virtual Screening
- NeurIPS 2026Causally Structured Differential Network Modeling for Single-Cell Perturbation Prediction
- NeurIPS 2026Chain-of-Generation: Progressive Latent Diffusion for Text-Guided Molecular Design
- NeurIPS 2026ChildPose: Foundation for Children Pose Modeling
- NeurIPS 2026Class-Domain Incremental Learning with Extensible Multi-Center Modeling
- NeurIPS 2026Collective Supervision for Unified Biomolecular Conformation and Dynamics Modeling with CoDyna
- NeurIPS 2026Colour me shocked: Exact Molecular Hessians from MLIPs in O(N) time using sparse differentiation!
- NeurIPS 2026Controllable Molecular Generative Foundation Models
- NeurIPS 2026CupOFMoCA: Coupled Objective-Guided Discrete Flows for Molecular Conjugate Assembly
- NeurIPS 2026DIAGNO: Diagonal Spherical Neural Operators for Heterogeneous Earth Dynamics Modeling
- NeurIPS 2026DiLaDiff: Distilled Latent-augmented Diffusion for Language Modeling
- NeurIPS 2026Discrete Neural Interlingua for Ontology-Agnostic EHR Modeling
- NeurIPS 2026DualDrift: Combining Forward and Reverse Drifts for One-Step Generative Modeling
- NeurIPS 2026Dynamic Context Modeling for Longitudinal Mental Health Monitoring under Distribution Shift
- NeurIPS 2026Emergent Biological Capabilities in a Foundation Model for Molecular Interactions
- NeurIPS 2026Express Language Modeling
- NeurIPS 2026Fixed-Point Masked Generative Modeling
- NeurIPS 2026Flexformer: Flexible Linear Transformer with Learnable Attention Kernel
- NeurIPS 2026Fractional State Space Transition for Long Sequence Modeling
- NeurIPS 2026Gauge-Symmetric Dual Lagrangian Frameworks for Born-Oppenheimer Molecular Dynamics
- NeurIPS 2026Generative Modeling via Drifting
- NeurIPS 2026Generative Molecular Morphing for Flexible-Size Design via Unbalanced Optimal Transport
- NeurIPS 2026Geometrically Disentangling Concept Learning from the Language Modeling Loss
- NeurIPS 2026Graph Energy Matching: Transport-Aligned Energy-Based Modeling for Graph Generation
- NeurIPS 2026Graph-Enhanced Attribute-Aware Modeling for Cloth-Changing Person Re-Identification
- NeurIPS 2026HeatKV: Head-tuned KV-cache Compression for Visual Autoregressive Modeling
- NeurIPS 2026Horizontal Diffusion Models: Score-based Generative Modeling on Frame-Connection Geometry
- NeurIPS 2026Hypergraph Modeling of Transformer Attention for Hallucination Detection
在 Claude、Cursor 里直接问这个趋势
接上 Paperlist MCP 后，写综述、挑方向或准备投稿时，不用离开对话框就能拿到这页的数字：每年各会议的论文数、增长倍数、涨得最快的子方向和代表论文，AI 会按你的问题整理。
可以直接复制这句话问 AI
用 paperlist 查分子建模在 NeurIPS 2023–2026 的论文趋势，哪一年涨得最快？
AI 会调用的工具：get_topic_stats {"topic": "molecular-modeling"}
常见问题
- 2023–2026 年四大会议一共有多少篇分子建模论文？
- 共 1,038 篇，按年份分别是 2023 年 137 篇、2024 年 207 篇、2025 年 321 篇、2026 年 373 篇。
- NeurIPS 2026 有多少篇分子建模论文？
- NeurIPS 2026 有 114 篇分子建模论文，上一届是 132 篇。
- ICLR 2026 有多少篇分子建模论文？
- ICLR 2026 有 90 篇分子建模论文，上一届是 80 篇。
- ICML 2026 有多少篇分子建模论文？
- ICML 2026 有 107 篇分子建模论文，上一届是 63 篇。
- CVPR 2026 有多少篇分子建模论文？
- CVPR 2026 有 62 篇分子建模论文，上一届是 46 篇。
- 哪个会议的分子建模论文最多？
- NeurIPS，2023–2026 年共 351 篇。