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

20 papers, page 1 of 1

1. ICML 2023A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining
2. ICML 2023AbODE: Ab initio antibody design using conjoined ODEs
3. ICML 2023Causal Discovery with Latent Confounders Based on Higher-Order Cumulants
4. ICML 2023Controllability-Aware Unsupervised Skill Discovery
5. ICML 2023DecompDiff: Diffusion Models with Decomposed Priors for Structure-Based Drug Design
6. ICML 2023Deep Temporal Sets with Evidential Reinforced Attentions for Unique Behavioral Pattern Discovery
7. ICML 2023Demystifying Disagreement-on-the-Line in High Dimensions
8. ICML 2023DiscoBAX - Discovery of optimal intervention sets in genomic experiment design
9. ICML 2023Drug Discovery under Covariate Shift with Domain-Informed Prior Distributions over Functions
10. ICML 2023Enhancing Activity Prediction Models in Drug Discovery with the Ability to Understand Human Language
11. ICML 2023Exploring Model Dynamics for Accumulative Poisoning Discovery
12. ICML 2023Fractional Denoising for 3D Molecular Pre-training
13. ICML 2023From Temporal to Contemporaneous Iterative Causal Discovery in the Presence of Latent Confounders
14. ICML 2023Generative Adversarial Symmetry Discovery
15. ICML 2023Importance Weighted Expectation-Maximization for Protein Sequence Design
16. ICML 2023Invariant Slot Attention: Object Discovery with Slot-Centric Reference Frames
17. ICML 2023Layered State Discovery for Incremental Autonomous Exploration
18. ICML 2023Learning Subpocket Prototypes for Generalizable Structure-based Drug Design
19. ICML 2023Nonlinear Causal Discovery with Latent Confounders
20. ICML 2023Unsupervised Skill Discovery for Learning Shared Structures across Changing Environments

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.