Drug Discovery papers, 2023–2026
Molecule and protein design
Scope: NeurIPS, ICLR, ICML and CVPR, 2023–2026. 578 papers are tagged with this topic.
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.
Papers per venue
Counts by year and venue
| Year | NeurIPS | ICLR | ICML | CVPR | Total |
|---|---|---|---|---|---|
| 2023 | 21 | 22 | 20 | 16 | 79 |
| 2024 | 49 | 23 | 42 | 11 | 125 |
| 2025 | 64 | 48 | 39 | 12 | 163 |
| 2026 | 100 | 37 | 63 | 11 | 211 |
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
211 papers, page 5 of 5
- NeurIPS 2026Structure-aware Reinforcement Learning for Protein Directed Evolution
- NeurIPS 2026Temporal Selective Exploration for Reinforcement Learning-Guided Continuous-Discrete Flow Matching in 3D Molecular Design
- NeurIPS 2026TrialAgentBench: Evaluating AI Agents for Clinical-Trial Analysis and Long-Horizon Drug-Development Decisions
- NeurIPS 2026Trustworthy Retrosynthesis: Eliminating Hallucinations with a Diverse Ensemble of Reaction Scorers
- NeurIPS 2026Two Stages of Folding: Convergent Mechanisms in AI Protein Folding Trunks
- NeurIPS 2026UniFlowDock: Flexible Docking with Complete Equivariant Velocity Fields
- NeurIPS 2026Unsupervised Concept Discovery with Dirichlet Concept Diffusion Models
- NeurIPS 2026Virtual Double Oracle: Faster Convergence by Leveraging Strategies That Were Watching All Along
- NeurIPS 2026Weather-Robust Cross-View Geo-Localization via Prototype-Based Semantic Part Discovery
- NeurIPS 2026When Does Knowing the State Help? Diagnosing Process vs. Outcome Reward Design
- NeurIPS 2026When Transcriptomic Foundation Models Scale: Domain-Focused Pretraining for Drug Development in Immunology and Inflammation
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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.