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 321 篇，第 6 / 7 页
- NeurIPS 2025Joint Modeling of fMRI and EEG Imaging Using Ordinary Differential Equation-Based Hypergraph Neural Networks
- NeurIPS 2025Joint Velocity-Growth Flow Matching for Single-Cell Dynamics Modeling
- NeurIPS 2025KnowMol: Advancing Molecular Large Language Models with Multi-Level Chemical Knowledge
- NeurIPS 2025LaM-SLidE: Latent Space Modeling of Spatial Dynamical Systems via Linked Entities
- NeurIPS 2025Language Modeling by Language Models
- NeurIPS 2025Learning 3D Anisotropic Noise Distributions Improves Molecular Force Fields
- NeurIPS 2025Learning CAD Modeling Sequences via Projection and Part Awareness
- NeurIPS 2025Learning conformational ensembles of proteins based on backbone geometry
- NeurIPS 2025Less is More: an Attention-free Sequence Prediction Modeling for Offline Embodied Learning
- NeurIPS 2025Linear Attention for Efficient Bidirectional Sequence Modeling
- NeurIPS 2025LiteReality: Graphic-Ready 3D Scene Reconstruction from RGB-D Scans
- NeurIPS 2025Local-Global Associative Frames for Symmetry-Preserving Crystal Structure Modeling
- NeurIPS 2025LoRATv2: Enabling Low-Cost Temporal Modeling in One-Stream Trackers
- NeurIPS 2025Modeling Microenvironment Trajectories on Spatial Transcriptomics with NicheFlow
- NeurIPS 2025Modeling the Economic Impacts of AI Openness Regulation
- NeurIPS 2025ModuLM: Enabling Modular and Multimodal Molecular Relational Learning with Large Language Models
- NeurIPS 2025MoFo: Empowering Long-term Time Series Forecasting with Periodic Pattern Modeling
- NeurIPS 2025Mol-LLaMA: Towards General Understanding of Molecules in Large Molecular Language Model
- NeurIPS 2025MolVision: Molecular Property Prediction with Vision Language Models
- NeurIPS 2025MS-BART: Unified Modeling of Mass Spectra and Molecules for Structure Elucidation
- NeurIPS 2025Neural Hamiltonian Diffusions for Modeling Structured Geometric Dynamics
- NeurIPS 2025Next Semantic Scale Prediction via Hierarchical Diffusion Language Models
- NeurIPS 2025NOBLE - Neural Operator with Biologically-informed Latent Embeddings to Capture Experimental Variability in Biological Neuron Models
- NeurIPS 2025NUTS: Eddy-Robust Reconstruction of Surface Ocean Nutrients via Two-Scale Modeling
- NeurIPS 2025Omni-Mol: Multitask Molecular Model for Any-to-any Modalities
- NeurIPS 2025On the Hardness of Approximating Distributions with Tractable Probabilistic Models
- NeurIPS 2025One-Step Offline Distillation of Diffusion-based Models via Koopman Modeling
- NeurIPS 2025OptiTree: Hierarchical Thoughts Generation with Tree Search for LLM Optimization Modeling
- NeurIPS 2025PANTHER: Generative Pretraining Beyond Language for Sequential User Behavior Modeling
- NeurIPS 2025PaTH Attention: Position Encoding via Accumulating Householder Transformations
- NeurIPS 2025Path Gradients after Flow Matching
- NeurIPS 2025PDEfuncta: Spectrally-Aware Neural Representation for PDE Solution Modeling
- NeurIPS 2025PhysDiff-VTON: Cross-Domain Physics Modeling and Trajectory Optimization for Virtual Try-On
- NeurIPS 2025Plug-and-Play Context Feature Reuse for Efficient Masked Generation
- NeurIPS 2025Post Hoc Regression Refinement via Pairwise Rankings
- NeurIPS 2025Probing Equivariance and Symmetry Breaking in Convolutional Networks
- NeurIPS 2025ProteinConformers: Benchmark Dataset for Simulating Protein Conformational Landscape Diversity and Plausibility
- NeurIPS 2025RAT: Bridging RNN Efficiency and Attention Accuracy via Chunk-based Sequence Modeling
- NeurIPS 2025RDB2G-Bench: A Comprehensive Benchmark for Automatic Graph Modeling of Relational Databases
- NeurIPS 2025Reaction Prediction via Interaction Modeling of Symmetric Difference Shingle Sets
- NeurIPS 2025Reasoning is Periodicity? Improving Large Language Models Through Effective Periodicity Modeling
- NeurIPS 2025Rebalancing Return Coverage for Conditional Sequence Modeling in Offline Reinforcement Learning
- NeurIPS 2025Reducing the Probability of Undesirable Outputs in Language Models Using Probabilistic Inference
- NeurIPS 2025RoFt-Mol: Benchmarking Robust Fine-tuning with Molecular Graph Foundation Models
- NeurIPS 2025Sampling 3D Molecular Conformers with Diffusion Transformers
- NeurIPS 2025SAS: Simulated Attention Score
- NeurIPS 2025Scalable and Cost-Efficient de Novo Template-Based Molecular Generation
- NeurIPS 2025Scaling Up Liquid-Resistance Liquid-Capacitance Networks for Efficient Sequence Modeling
- NeurIPS 2025scGeneScope: A Treatment-Matched Single Cell Imaging and Transcriptomics Dataset and Benchmark for Treatment Response Modeling
- NeurIPS 2025ShapeCraft: LLM Agents for Structured, Textured and Interactive 3D 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。