Drug Discovery papers, 2023–2026

Key findings

• Drug Discovery went from 79 papers in 2023 to 211 in 2026, roughly 2.7x in three years.
• NeurIPS publishes the most Drug Discovery work: 234 papers from 2023 to 2026, 40% of the four-venue total.
• The fastest-growing overlap is with Applications · chemistry physics and earth sciences: papers tagged with both rose from 1 in 2023 to 42 in 2026.
• Among the 5 topics under Health and Life Sciences, it ranks #2 by 2026 paper count; the fastest grower in the group, Clinical NLP, is up 3.2x versus 2.7x here.

Representative papers

Spread across years and venues so every edition shows up

• 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

All Drug Discovery papers

50 papers, page 1 of 1

1. CVPR 2026A Polynomial Chaos Framework for Causal Discovery in Nonlinear Uncertain
2. CVPR 2026Beyond the Static World Continual Category Discovery under Visual Drift
3. CVPR 2026Decouple Your Discovery and Memory in Continual Generalized Category Discovery
4. CVPR 2026Differences That Matter Auditing Models for Capability Gap Discovery and
5. CVPR 2026Geometric-Aware Hypergraph Reasoning for Novel Class Discovery in Point Cloud
6. CVPR 2026H-Sets Hessian-Guided Discovery of Set-Level Feature Interactions in Image Classifiers
7. CVPR 2026Learning Like Humans Analogical Concept Learning for Generalized Category Discovery
8. CVPR 2026Seeing Through the Shift Causality-Inspired Robust Generalized Category Discovery
9. CVPR 2026TAR Token-Aware Refinement for Fine-grained Generalized Category Discovery
10. CVPR 2026TRIDENT A Trimodal Cascade Generative Framework for Drug and RNA-Conditioned
11. CVPR 2026Unsupervised Monocular 3D Keypoint Discovery from Multi-View Diffusion Priors
12. CVPR 2025Adaptive Part Learning for Fine-Grained Generalized Category Discovery: A Plug-and-Play Enhancement
13. CVPR 2025AnomalyNCD: Towards Novel Anomaly Class Discovery in Industrial Scenarios
14. CVPR 2025DiSciPLE: Learning Interpretable Programs for Scientific Visual Discovery
15. CVPR 2025HuMoCon: Concept Discovery for Human Motion Understanding
16. CVPR 2025Hyperbolic Category Discovery
17. CVPR 2025Joint Out-of-Distribution Filtering and Data Discovery Active Learning
18. CVPR 2025Less Attention is More: Prompt Transformer for Generalized Category Discovery
19. CVPR 2025MOS: Modeling Object-Scene Associations in Generalized Category Discovery
20. CVPR 2025Multi-modal Contrastive Learning with Negative Sampling Calibration for Phenotypic Drug Discovery
21. CVPR 2025Towards Human-Understandable Multi-Dimensional Concept Discovery
22. CVPR 2025UNICL-SAM: Uncertainty-Driven In-Context Segmentation with Part Prototype Discovery
23. CVPR 2025Unsupervised Discovery of Facial Landmarks and Head Pose
24. CVPR 2024Active Generalized Category Discovery
25. CVPR 2024Adaptive Slot Attention: Object Discovery with Dynamic Slot Number
26. CVPR 2024Contrastive Mean-Shift Learning for Generalized Category Discovery
27. CVPR 2024DIOD: Self-Distillation Meets Object Discovery
28. CVPR 2024Federated Generalized Category Discovery
29. CVPR 2024Molecular Data Programming: Towards Molecule Pseudo-labeling with Systematic Weak Supervision
30. CVPR 2024NoiseCLR: A Contrastive Learning Approach for Unsupervised Discovery of Interpretable Directions in Diffusion Models
31. CVPR 2024Novel Class Discovery for Ultra-Fine-Grained Visual Categorization
32. CVPR 2024Solving the Catastrophic Forgetting Problem in Generalized Category Discovery
33. CVPR 2024Understanding Video Transformers via Universal Concept Discovery
34. CVPR 2024Visual Concept Connectome (VCC): Open World Concept Discovery and their Interlayer Connections in Deep Models
35. CVPR 2023AutoRecon: Automated 3D Object Discovery and Reconstruction
36. CVPR 2023BKinD-3D: Self-Supervised 3D Keypoint Discovery From Multi-View Videos
37. CVPR 2023Bootstrap Your Own Prior: Towards Distribution-Agnostic Novel Class Discovery
38. CVPR 2023Dynamic Conceptional Contrastive Learning for Generalized Category Discovery
39. CVPR 2023GlassesGAN: Eyewear Personalization Using Synthetic Appearance Discovery and Targeted Subspace Modeling
40. CVPR 2023Hi-LASSIE: High-Fidelity Articulated Shape and Skeleton Discovery From Sparse Image Ensemble
41. CVPR 2023Intrinsic Physical Concepts Discovery With Object-Centric Predictive Models
42. CVPR 2023Modeling Inter-Class and Intra-Class Constraints in Novel Class Discovery
43. CVPR 2023Novel Class Discovery for 3D Point Cloud Semantic Segmentation
44. CVPR 2023Object Discovery From Motion-Guided Tokens
45. CVPR 2023On-the-Fly Category Discovery
46. CVPR 2023PartMix: Regularization Strategy To Learn Part Discovery for Visible-Infrared Person Re-Identification
47. CVPR 2023PromptCAL: Contrastive Affinity Learning via Auxiliary Prompts for Generalized Novel Category Discovery
48. CVPR 2023StepFormer: Self-Supervised Step Discovery and Localization in Instructional Videos
49. CVPR 2023SuperDisco: Super-Class Discovery Improves Visual Recognition for the Long-Tail
50. CVPR 2023Universal Instance Perception As Object Discovery and Retrieval

FAQ

How many Drug Discovery papers were published at NeurIPS, ICLR, ICML and CVPR from 2023 to 2026?

578 in total: 79 in 2023, 125 in 2024, 163 in 2025, 211 in 2026.

How many Drug Discovery papers are at NeurIPS 2026?

NeurIPS 2026 has 100 Drug Discovery papers, versus 64 the year before.

How many Drug Discovery papers are at ICLR 2026?

ICLR 2026 has 37 Drug Discovery papers, versus 48 the year before.

How many Drug Discovery papers are at ICML 2026?

ICML 2026 has 63 Drug Discovery papers, versus 39 the year before.

How many Drug Discovery papers are at CVPR 2026?

CVPR 2026 has 11 Drug Discovery papers, versus 12 the year before.

Which conference publishes the most Drug Discovery papers?

NeurIPS, with 234 papers from 2023 to 2026.