药物发现论文趋势 2023–2026
分子与蛋白设计
统计范围：NeurIPS、ICLR、ICML、CVPR 四个会议，2023–2026 年，共 578 篇被归入该主题的论文。
主要结论
- 药物发现论文从 2023 年的 79 篇增长到 2026 年的 211 篇，三年间扩大到约 2.7 倍。
- NeurIPS 是发药物发现论文最多的会议，2023–2026 年共 234 篇，占四个会议总量的 40%。
- 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 1 篇增至 2026 年的 42 篇。
- 在「健康与生命科学」的 5 个主题里，它的 2026 年论文数排第 2；同组增长最快的临床 NLP是 3.2 倍，药物发现是 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 | 21 | 22 | 20 | 16 | 79 |
| 2024 | 49 | 23 | 42 | 11 | 125 |
| 2025 | 64 | 48 | 39 | 12 | 163 |
| 2026 | 100 | 37 | 63 | 11 | 211 |
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 2026ACER: Towards Generalizable Protein-ligand Co-folding
- ICML 2026Adaptive Symmetry Discovery for Dynamical System Identification
- ICLR 2026Bures Generalized Category Discovery
- CVPR 2026Learning Like Humans Analogical Concept Learning for Generalized Category Discovery
- NeurIPS 2025AANet: Virtual Screening under Structural Uncertainty via Alignment and Aggregation
- ICML 2025Explicit Discovery of Nonlinear Symmetries from Dynamic Data
- ICLR 2025CBGBench: Fill in the Blank of Protein-Molecule Complex Binding Graph
- CVPR 2025Adaptive Part Learning for Fine-Grained Generalized Category Discovery: A Plug-and-Play Enhancement
- NeurIPS 2024A SARS-CoV-2 Interaction Dataset and VHH Sequence Corpus for Antibody Language Models
- ICML 2024Amortized Equation Discovery in Hybrid Dynamical Systems
- ICLR 2024Self-supervised Pocket Pretraining via Protein Fragment-Surroundings Alignment
- CVPR 2024Federated Generalized Category Discovery
- NeurIPS 2023An Optimization-based Approach To Node Role Discovery in Networks: Approximating Equitable Partitions
- ICML 2023A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining
- ICLR 2023Context-enriched molecule representations improve few-shot drug discovery
- CVPR 2023Bootstrap Your Own Prior: Towards Distribution-Agnostic Novel Class Discovery
- NeurIPS 2026Active Flow Expansion for Out-of-Distribution Discovery: from Theory to Molecules
- ICML 2026CURE: Consistency-under-Unified Semantic Regularization for Generalized Category Discovery
- ICLR 2026Exploring Synthesizable Chemical Space with Iterative Pathway Refinements
- CVPR 2026TAR Token-Aware Refinement for Fine-grained Generalized Category Discovery
全部药物发现论文
共 234 篇，第 5 / 5 页
- NeurIPS 2024Prototypical Hash Encoding for On-the-Fly Fine-Grained Category Discovery
- NeurIPS 2024QWO: Speeding Up Permutation-Based Causal Discovery in LiGAMs
- NeurIPS 2024ReactZyme: A Benchmark for Enzyme-Reaction Prediction
- NeurIPS 2024Reprogramming Pretrained Target-Specific Diffusion Models for Dual-Target Drug Design
- NeurIPS 2024RGFN: Synthesizable Molecular Generation Using GFlowNets
- NeurIPS 2024S-MolSearch: 3D Semi-supervised Contrastive Learning for Bioactive Molecule Search
- NeurIPS 2024SkiLD: Unsupervised Skill Discovery Guided by Factor Interactions
- NeurIPS 2024Symmetry Discovery Beyond Affine Transformations
- NeurIPS 2024Symmetry-Informed Governing Equation Discovery
- NeurIPS 2024Towards Stable Representations for Protein Interface Prediction
- NeurIPS 2024UniIF: Unified Molecule Inverse Folding
- NeurIPS 2024UniTox: Leveraging LLMs to Curate a Unified Dataset of Drug-Induced Toxicity from FDA Labels
- NeurIPS 2024WelQrate: Defining the Gold Standard in Small Molecule Drug Discovery Benchmarking
- NeurIPS 20233D molecule generation by denoising voxel grids
- NeurIPS 2023An Optimization-based Approach To Node Role Discovery in Networks: Approximating Equitable Partitions
- NeurIPS 2023AVIDa-hIL6: A Large-Scale VHH Dataset Produced from an Immunized Alpaca for Predicting Antigen-Antibody Interactions
- NeurIPS 2023BayesDAG: Gradient-Based Posterior Inference for Causal Discovery
- NeurIPS 2023Bayesian Active Causal Discovery with Multi-Fidelity Experiments
- NeurIPS 2023CoDrug: Conformal Drug Property Prediction with Density Estimation under Covariate Shift
- NeurIPS 2023Contrastive Training of Complex-Valued Autoencoders for Object Discovery
- NeurIPS 2023D-CIPHER: Discovery of Closed-form Partial Differential Equations
- NeurIPS 2023Deep Contract Design via Discontinuous Networks
- NeurIPS 2023DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening
- NeurIPS 2023Error Discovery By Clustering Influence Embeddings
- NeurIPS 2023FABind: Fast and Accurate Protein-Ligand Binding
- NeurIPS 2023False Discovery Proportion control for aggregated Knockoffs
- NeurIPS 2023Functional-Group-Based Diffusion for Pocket-Specific Molecule Generation and Elaboration
- NeurIPS 2023Homotopy-based training of NeuralODEs for accurate dynamics discovery
- NeurIPS 2023Learn to Categorize or Categorize to Learn? Self-Coding for Generalized Category Discovery
- NeurIPS 2023Lo-Hi: Practical ML Drug Discovery Benchmark
- NeurIPS 2023Molecule Joint Auto-Encoding: Trajectory Pretraining with 2D and 3D Diffusion
- NeurIPS 2023Protein Design with Guided Discrete Diffusion
- NeurIPS 2023ProteinNPT: Improving Protein Property Prediction and Design with Non-Parametric Transformers
- NeurIPS 2023Sample-efficient Multi-objective Molecular Optimization with GFlowNets
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 查药物发现在 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": "drug-discovery"}
常见问题
- 2023–2026 年四大会议一共有多少篇药物发现论文？
- 共 578 篇，按年份分别是 2023 年 79 篇、2024 年 125 篇、2025 年 163 篇、2026 年 211 篇。
- NeurIPS 2026 有多少篇药物发现论文？
- NeurIPS 2026 有 100 篇药物发现论文，上一届是 64 篇。
- ICLR 2026 有多少篇药物发现论文？
- ICLR 2026 有 37 篇药物发现论文，上一届是 48 篇。
- ICML 2026 有多少篇药物发现论文？
- ICML 2026 有 63 篇药物发现论文，上一届是 39 篇。
- CVPR 2026 有多少篇药物发现论文？
- CVPR 2026 有 11 篇药物发现论文，上一届是 12 篇。
- 哪个会议的药物发现论文最多？
- NeurIPS，2023–2026 年共 234 篇。