Molecular Modeling papers, 2023–2026

Key findings

• Molecular Modeling went from 137 papers in 2023 to 373 in 2026, roughly 2.7x in three years.
• NeurIPS publishes the most Molecular Modeling work: 351 papers from 2023 to 2026, 34% of the four-venue total.
• The fastest-growing overlap is with Applications · chemistry physics and earth sciences: papers tagged with both rose from 5 in 2023 to 59 in 2026.
• Among the 5 topics under Graph and Structured Data, it ranks #3 by 2026 paper count; the fastest grower in the group, Time Series, is up 3.2x versus 2.7x here.

Representative papers

Spread across years and venues so every edition shows up

• NeurIPS 2026Atomic Trajectory Modeling with State Space Models for Biomolecular Dynamics
• ICML 2026Controlled SDEs for Long-Horizon Motion Generation under Latent Decision Uncertainty
• ICLR 2026A Scalable Inter-edge Correlation Modeling in CopulaGNN for Link Sign Prediction
• CVPR 2026CARE A Molecular-Guided Foundation Model with Adaptive Region Modeling for
• NeurIPS 20253D-GSRD: 3D Molecular Graph Auto-Encoder with Selective Re-mask Decoding
• ICML 2025BAnG: Bidirectional Anchored Generation for Conditional RNA Design
• ICLR 20253D-MolT5: Leveraging Discrete Structural Information for Molecule-Text Modeling
• CVPR 2025Bridging Gait Recognition and Large Language Models Sequence Modeling
• NeurIPS 20244DBInfer: A 4D Benchmarking Toolbox for Graph-Centric Predictive Modeling on RDBs
• ICML 2024An amortized approach to non-linear mixed-effects modeling based on neural posterior estimation
• ICLR 2024$\texttt{NAISR}$: A 3D Neural Additive Model for Interpretable Shape Representation
• CVPR 2024EVS-assisted Joint Deblurring Rolling-Shutter Correction and Video Frame Interpolation through Sensor Inverse Modeling
• NeurIPS 2023Learning Invariant Molecular Representation in Latent Discrete Space
• ICML 2023Biases in Evaluation of Molecular Optimization Methods and Bias Reduction Strategies
• ICLR 2023$\mathcal{O}$-GNN: incorporating ring priors into molecular modeling
• CVPR 2023BAAM: Monocular 3D Pose and Shape Reconstruction With Bi-Contextual Attention Module and Attention-Guided Modeling
• NeurIPS 2026CausalBind: Causal Modeling and Learning for Protein-Molecule Virtual Screening
• ICML 2026Efficient Continuous-Depth Modeling with GRU Equivalents
• ICLR 2026Anime-Ready: Controllable 3D Anime Character Generation with Body-Aligned Component-Wise Garment Modeling
• CVPR 2026Continuous Exposure-Time Modeling for Realistic Atmospheric Turbulence Synthesis

All Molecular Modeling papers

321 papers, page 1 of 7

1. CVPR 20253D Convex Splatting: Radiance Field Rendering with 3D Smooth Convexes
2. CVPR 2025ArticulatedGS: Self-supervised Digital Twin Modeling of Articulated Objects using 3D Gaussian Splatting
3. CVPR 2025Bootstrap Your Own Views: Masked Ego-Exo Modeling for Fine-grained View-invariant Video Representations
4. CVPR 2025Bridging Gait Recognition and Large Language Models Sequence Modeling
5. CVPR 2025ChainHOI: Joint-based Kinematic Chain Modeling for Human-Object Interaction Generation
6. CVPR 2025Change3D: Revisiting Change Detection and Captioning from A Video Modeling Perspective
7. CVPR 2025CheXWorld: Exploring Image World Modeling for Radiograph Representation Learning
8. CVPR 2025Collaborative Decoding Makes Visual Auto-Regressive Modeling Efficient
9. CVPR 2025Diffusion-based Realistic Listening Head Generation via Hybrid Motion Modeling
10. CVPR 2025EnvGS: Modeling View-Dependent Appearance with Environment Gaussian
11. CVPR 2025EnvPoser: Environment-aware Realistic Human Motion Estimation from Sparse Observations with Uncertainty Modeling
12. CVPR 2025Extrapolating and Decoupling Image-to-Video Generation Models: Motion Modeling is Easier Than You Think
13. CVPR 2025FreeCloth: Free-form Generation Enhances Challenging Clothed Human Modeling
14. CVPR 2025Generative Modeling of Class Probability for Multi-Modal Representation Learning
15. CVPR 2025GeoDepth: From Point-to-Depth to Plane-to-Depth Modeling for Self-Supervised Monocular Depth Estimation
16. CVPR 2025GroomLight: Hybrid Inverse Rendering for Relightable Human Hair Appearance Modeling
17. CVPR 2025Identity-Clothing Similarity Modeling for Unsupervised Clothing Change Person Re-Identification
18. CVPR 2025Illumination Spectrum Estimation for Multispectral Images via Surface Reflectance Modeling and Spatial-Spectral Feature Generation
19. CVPR 2025Infinity: Scaling Bitwise AutoRegressive Modeling for High-Resolution Image Synthesis
20. CVPR 2025LeanGaussian: Breaking Pixel or Point Cloud Correspondence in Modeling 3D Gaussians
21. CVPR 2025LOCORE: Image Re-ranking with Long-Context Sequence Modeling
22. CVPR 2025MagicArticulate: Make Your 3D Models Articulation-Ready
23. CVPR 2025Masked Scene Modeling: Narrowing the Gap Between Supervised and Self-Supervised Learning in 3D Scene Understanding
24. CVPR 2025MeshArt: Generating Articulated Meshes with Structure-Guided Transformers
25. CVPR 2025MMAR: Towards Lossless Multi-Modal Auto-Regressive Probabilistic Modeling
26. CVPR 2025Modeling Multiple Normal Action Representations for Error Detection in Procedural Tasks
27. CVPR 2025ModeSeq: Taming Sparse Multimodal Motion Prediction with Sequential Mode Modeling
28. CVPR 2025MOS: Modeling Object-Scene Associations in Generalized Category Discovery
29. CVPR 2025MV-SSM: Multi-View State Space Modeling for 3D Human Pose Estimation
30. CVPR 2025Neural Hierarchical Decomposition for Single Image Plant Modeling
31. CVPR 2025Parallel Sequence Modeling via Generalized Spatial Propagation Network
32. CVPR 2025PartRM: Modeling Part-Level Dynamics with Large Cross-State Reconstruction Model
33. CVPR 2025Person De-reidentification: A Variation-guided Identity Shift Modeling
34. CVPR 2025Poly-Autoregressive Prediction for Modeling Interactions
35. CVPR 2025Radio Frequency Ray Tracing with Neural Object Representation for Enhanced RF Modeling
36. CVPR 2025Relation3D : Enhancing Relation Modeling for Point Cloud Instance Segmentation
37. CVPR 2025RGBAvatar: Reduced Gaussian Blendshapes for Online Modeling of Head Avatars
38. CVPR 2025RigGS: Rigging of 3D Gaussians for Modeling Articulated Objects in Videos
39. CVPR 2025SegMAN: Omni-scale Context Modeling with State Space Models and Local Attention for Semantic Segmentation
40. CVPR 2025SpecTRe-GS: Modeling Highly Specular Surfaces with Reflected Nearby Objects by Tracing Rays in 3D Gaussian Splatting
41. CVPR 2025Textured Gaussians for Enhanced 3D Scene Appearance Modeling
42. CVPR 2025Towards Realistic Example-based Modeling via 3D Gaussian Stitching
43. CVPR 2025Unsupervised Continual Domain Shift Learning with Multi-Prototype Modeling
44. CVPR 2025VideoSPatS: Video SPatiotemporal Splines for Disentangled Occlusion, Appearance and Motion Modeling and Editing
45. CVPR 2025VidMuse: A Simple Video-to-Music Generation Framework with Long-Short-Term Modeling
46. CVPR 2025World-consistent Video Diffusion with Explicit 3D Modeling
47. ICLR 20253D-MolT5: Leveraging Discrete Structural Information for Molecule-Text Modeling
48. ICLR 2025A Large-scale Dataset and Benchmark for Commuting Origin-Destination Flow Generation
49. ICLR 2025Adaptive Shrinkage Estimation for Personalized Deep Kernel Regression in Modeling Brain Trajectories
50. ICLR 2025Aria-MIDI: A Dataset of Piano MIDI Files for Symbolic Music Modeling

FAQ

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

1,038 in total: 137 in 2023, 207 in 2024, 321 in 2025, 373 in 2026.

How many Molecular Modeling papers are at NeurIPS 2026?

NeurIPS 2026 has 114 Molecular Modeling papers, versus 132 the year before.

How many Molecular Modeling papers are at ICLR 2026?

ICLR 2026 has 90 Molecular Modeling papers, versus 80 the year before.

How many Molecular Modeling papers are at ICML 2026?

ICML 2026 has 107 Molecular Modeling papers, versus 63 the year before.

How many Molecular Modeling papers are at CVPR 2026?

CVPR 2026 has 62 Molecular Modeling papers, versus 46 the year before.

Which conference publishes the most Molecular Modeling papers?

NeurIPS, with 351 papers from 2023 to 2026.