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 20 / 21 页
- ICLR 2023Clifford Neural Layers for PDE Modeling
- ICLR 2023Continuous-Discrete Convolution for Geometry-Sequence Modeling in Proteins
- ICLR 2023CROM: Continuous Reduced-Order Modeling of PDEs Using Implicit Neural Representations
- ICLR 2023Data Continuity Matters: Improving Sequence Modeling with Lipschitz Regularizer
- ICLR 2023De Novo Molecular Generation via Connection-aware Motif Mining
- ICLR 2023Deep Generative Modeling on Limited Data with Regularization by Nontransferable Pre-trained Models
- ICLR 2023Designing BERT for Convolutional Networks: Sparse and Hierarchical Masked Modeling
- ICLR 2023DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
- ICLR 2023Diffusion Probabilistic Modeling of Protein Backbones in 3D for the motif-scaffolding problem
- ICLR 2023Effectively Modeling Time Series with Simple Discrete State Spaces
- ICLR 2023Enhancing the Inductive Biases of Graph Neural ODE for Modeling Physical Systems
- ICLR 2023Equivariant Energy-Guided SDE for Inverse Molecular Design
- ICLR 2023Formal Mathematics Statement Curriculum Learning
- ICLR 2023How Much Space Has Been Explored? Measuring the Chemical Space Covered by Databases and Machine-Generated Molecules
- ICLR 2023Hungry Hungry Hippos: Towards Language Modeling with State Space Models
- ICLR 2023Language Models are Realistic Tabular Data Generators
- ICLR 2023Learning Harmonic Molecular Representations on Riemannian Manifold
- ICLR 2023Learning Locality and Isotropy in Dialogue Modeling
- ICLR 2023Long Range Language Modeling via Gated State Spaces
- ICLR 2023MapTR: Structured Modeling and Learning for Online Vectorized HD Map Construction
- ICLR 2023Masked Frequency Modeling for Self-Supervised Visual Pre-Training
- ICLR 2023Masked Image Modeling with Denoising Contrast
- ICLR 2023Memorization-Dilation: Modeling Neural Collapse Under Noise
- ICLR 2023MeshDiffusion: Score-based Generative 3D Mesh Modeling
- ICLR 2023Meta-learning Adaptive Deep Kernel Gaussian Processes for Molecular Property Prediction
- ICLR 2023MICN: Multi-scale Local and Global Context Modeling for Long-term Series Forecasting
- ICLR 2023Modeling content creator incentives on algorithm-curated platforms
- ICLR 2023Modeling the Data-Generating Process is Necessary for Out-of-Distribution Generalization
- ICLR 2023Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching
- ICLR 2023Multiple sequence alignment as a sequence-to-sequence learning problem
- ICLR 2023Neural Image-based Avatars: Generalizable Radiance Fields for Human Avatar Modeling
- ICLR 2023One Transformer Can Understand Both 2D & 3D Molecular Data
- ICLR 2023Pre-training via Denoising for Molecular Property Prediction
- ICLR 2023Preserving Pre-trained Features Helps Calibrate Fine-tuned Language Models
- ICLR 2023Simplified State Space Layers for Sequence Modeling
- ICLR 2023The Surprising Computational Power of Nondeterministic Stack RNNs
- ICLR 2023TimesNet: Temporal 2D-Variation Modeling for General Time Series Analysis
- ICLR 2023Toeplitz Neural Network for Sequence Modeling
- ICLR 2023Uni-Mol: A Universal 3D Molecular Representation Learning Framework
- ICLR 2023What Makes Convolutional Models Great on Long Sequence Modeling?
- ICML 2023An SDE for Modeling SAM: Theory and Insights
- ICML 2023Architecture-Agnostic Masked Image Modeling -- From ViT back to CNN
- ICML 2023Biases in Evaluation of Molecular Optimization Methods and Bias Reduction Strategies
- ICML 2023CAB: Comprehensive Attention Benchmarking on Long Sequence Modeling
- ICML 2023CodeIPPrompt: Intellectual Property Infringement Assessment of Code Language Models
- ICML 2023Diffusion Models are Minimax Optimal Distribution Estimators
- ICML 2023Effective Neural Topic Modeling with Embedding Clustering Regularization
- ICML 2023Efficient and Degree-Guided Graph Generation via Discrete Diffusion Modeling
- ICML 2023Ewald-based Long-Range Message Passing for Molecular Graphs
- ICML 2023FAENet: Frame Averaging Equivariant GNN for Materials Modeling
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。