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

每年论文数

各会议论文数

按年份和会议统计

药物发现论文数，按年份和会议
年份NeurIPSICLRICMLCVPR合计
20232122201679
202449234211125
202564483912163
2026100376311211

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

全部药物发现论文

年份全部2023202420252026
会议全部NeurIPSICLRICMLCVPR

共 578 篇，第 7 / 12 页

  1. ICML 2025Neural Discovery in Mathematics: Do Machines Dream of Colored Planes?
  2. ICML 2025P(all-atom) Is Unlocking New Path For Protein Design
  3. ICML 2025Piloting Structure-Based Drug Design via Modality-Specific Optimal Schedule
  4. ICML 2025Pretraining Generative Flow Networks with Inexpensive Rewards for Molecular Graph Generation
  5. ICML 2025Relational Invariant Learning for Robust Solvation Free Energy Prediction
  6. ICML 2025Sidechain conditioning and modeling for full-atom protein sequence design with FAMPNN
  7. ICML 2025Since Faithfulness Fails: The Performance Limits of Neural Causal Discovery
  8. ICML 2025Symmetry-Driven Discovery of Dynamical Variables in Molecular Simulations
  9. ICML 2025UniMoMo: Unified Generative Modeling of 3D Molecules for De Novo Binder Design
  10. ICML 2025ViTally Consistent: Scaling Biological Representation Learning for Cell Microscopy
  11. NeurIPS 2025A Dataset for Distilling Knowledge Priors from Literature for Therapeutic Design
  12. NeurIPS 2025AANet: Virtual Screening under Structural Uncertainty via Alignment and Aggregation
  13. NeurIPS 2025Accelerating 3D Molecule Generative Models with Trajectory Diagnosis
  14. NeurIPS 2025Accurately Predicting Protein Mutational Effects via a Hierarchical Many-Body Attention Network
  15. NeurIPS 2025Active Target Discovery under Uninformative Priors: The Power of Permanent and Transient Memory
  16. NeurIPS 2025AlphaFold Database Debiasing for Robust Inverse Folding
  17. NeurIPS 2025Ambient Proteins - Training Diffusion Models on Noisy Structures
  18. NeurIPS 2025An Efficient Local Search Approach for Polarized Community Discovery in Signed Networks
  19. NeurIPS 2025AutoSciDACT: Automated Scientific Discovery through Contrastive Embedding and Hypothesis Testing
  20. NeurIPS 2025BioCG: Constrained Generative Modeling for Biochemical Interaction Prediction
  21. NeurIPS 2025Causal Mixture Models: Characterization and Discovery
  22. NeurIPS 2025CausalDynamics: A large‐scale benchmark for structural discovery of dynamical causal models
  23. NeurIPS 2025CIDD: Collaborative Intelligence for Structure-Based Drug Design Empowered by LLMs
  24. NeurIPS 2025Consistent Supervised-Unsupervised Alignment for Generalized Category Discovery
  25. NeurIPS 2025Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration
  26. NeurIPS 2025Covering Multiple Objectives with a Small Set of Solutions Using Bayesian Optimization
  27. NeurIPS 2025CPSea: Large-scale cyclic peptide-protein complex dataset for machine learning in cyclic peptide design
  28. NeurIPS 2025Deciphering the Extremes: A Novel Approach for Pathological Long-tailed Recognition in Scientific Discovery
  29. NeurIPS 2025DecoyDB: A Dataset for Graph Contrastive Learning in Protein-Ligand Binding Affinity Prediction
  30. NeurIPS 2025Deep Taxonomic Networks for Unsupervised Hierarchical Prototype Discovery
  31. NeurIPS 2025Differentiable Constraint-Based Causal Discovery
  32. NeurIPS 2025Differentiable Cyclic Causal Discovery Under Unmeasured Confounders
  33. NeurIPS 2025Discovering Data Structures: Nearest Neighbor Search and Beyond
  34. NeurIPS 2025DynaPhArM: Adaptive and Physics-Constrained Modeling for Target-Drug Complexes with Drug-Specific Adaptations
  35. NeurIPS 2025Enhancing Bioactivity Prediction via Spatial Emptiness Representation of Protein-ligand Complex and Union of Multiple Pockets
  36. NeurIPS 2025FedLPA: Local Prior Alignment for Heterogeneous Federated Generalized Category Discovery
  37. NeurIPS 2025FIGRDock: Fast Interaction-Guided Regression for Flexible Docking
  38. NeurIPS 2025ForceFM: Enhancing Protein-Ligand Predictions through Force-Guided Flow Matching
  39. NeurIPS 2025Foundation Models for Scientific Discovery: From Paradigm Enhancement to Paradigm Transition
  40. NeurIPS 2025Generalized Category Discovery under Domain Shift: A Frequency Domain Perspective
  41. NeurIPS 2025GLNCD: Graph-Level Novel Category Discovery
  42. NeurIPS 2025HIDISC: A Hyperbolic Framework for Domain Generalization with Generalized Category Discovery
  43. NeurIPS 2025Implicit Generative Property Enhancer
  44. NeurIPS 2025Integrating Drug Substructures and Longitudinal Electronic Health Records for Personalized Drug Recommendation
  45. NeurIPS 2025Iterative Foundation Model Fine-Tuning on Multiple Rewards
  46. NeurIPS 2025JAMUN: Bridging Smoothed Molecular Dynamics and Score-Based Learning for Conformational Ensemble Generation
  47. NeurIPS 2025Latent Principle Discovery for Language Model Self-Improvement
  48. NeurIPS 2025Latent Retrieval Augmented Generation of Cross-Domain Protein Binders
  49. NeurIPS 2025Manipulating 3D Molecules in a Fixed-Dimensional E(3)-Equivariant Latent Space
  50. NeurIPS 2025MLRC-Bench: Can Language Agents Solve Machine Learning Research Challenges?

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"}

两分钟接入 Paperlist MCP（Claude Code、Cursor、Codex、ChatGPT）

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。

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