Molecular Modeling papers, 2023–2026
Molecular property and generation
Scope: NeurIPS, ICLR, ICML and CVPR, 2023–2026. 1,038 papers are tagged with this topic.
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.
Papers per venue
Counts by year and venue
| Year | NeurIPS | ICLR | ICML | CVPR | Total |
|---|---|---|---|---|---|
| 2023 | 27 | 44 | 21 | 45 | 137 |
| 2024 | 78 | 38 | 60 | 31 | 207 |
| 2025 | 132 | 80 | 63 | 46 | 321 |
| 2026 | 114 | 90 | 107 | 62 | 373 |
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
1,038 papers, page 8 of 21
- NeurIPS 2026Semantic-Level Invariant Representation Learning for Cross-Hospital Clinical EEG Modeling
- NeurIPS 2026Sequence-to-Sequence Modeling with Camera-Induced Priors for Multi-View Stereo
- NeurIPS 2026Spectral Adaptive Repositioning for Flow-Based Single-Cell Perturbation Modeling
- NeurIPS 2026ST-DiffEye: Diffusion-based Continuous Gaze Generation via Joint Scanpath-Trajectory Modeling
- NeurIPS 2026Stein Kernelized Molecular Dynamics for Active Learning of Interatomic Potentials
- NeurIPS 2026StereoPep: Do Molecular Models Understand Stereochemistry? A Benchmark on Synthetic Diastereomeric Peptides
- NeurIPS 2026Taking the Road Less Scheduled with Adaptive Polyak Steps
- NeurIPS 2026Taming Generative Co-Folding Prior for Molecular Docking with Diffusion Bridge
- NeurIPS 2026Targeted Review for AI-Assisted Biodiversity Surveys: Active Continuous-Score Occupancy Modeling
- NeurIPS 2026Temperature-Regulated Stochastic Sampling for Diffusion-Based High-Quality Molecular Generation
- NeurIPS 2026The Sparsity Whisperer
- NeurIPS 2026Time–Frequency Non-Stationary Modeling for Multivariate Time Series Forecasting
- NeurIPS 2026TimeOperator: A Function-to-Function Approach to Time Series Modeling
- NeurIPS 2026Towards Closing the Autoregressive Gap in Language Modeling via Entropy-Gated Continuous Bitstream Diffusion
- NeurIPS 2026Towards Financial World Modeling
- NeurIPS 2026UGM: Unified Multi-scale Genomic Event Modeling with Site-level Joint Prediction
- NeurIPS 2026UNICOM: Unified Multimodal Modeling via Compressed Continuous Semantic Representations
- NeurIPS 2026Unified Generative-Predictive Modeling for 4D Scene Understanding
- NeurIPS 2026Vermeer: Autoregressive generative modeling of microscopy predicts protein localization
- NeurIPS 2026Visual-ERM: Reward Modeling for Visual Equivalence
- NeurIPS 2026When Attention Collapses: Residual Evidence Modeling for Compositional Inference
- NeurIPS 2026When Riemann flows with Wasserstein: Generative Modeling of Probability Distributions on Manifolds
- NeurIPS 2026World-Model-Inspired Flicker State Modeling for Burst Flicker Removal
- CVPR 20253D Convex Splatting: Radiance Field Rendering with 3D Smooth Convexes
- CVPR 2025ArticulatedGS: Self-supervised Digital Twin Modeling of Articulated Objects using 3D Gaussian Splatting
- CVPR 2025Bootstrap Your Own Views: Masked Ego-Exo Modeling for Fine-grained View-invariant Video Representations
- CVPR 2025Bridging Gait Recognition and Large Language Models Sequence Modeling
- CVPR 2025ChainHOI: Joint-based Kinematic Chain Modeling for Human-Object Interaction Generation
- CVPR 2025Change3D: Revisiting Change Detection and Captioning from A Video Modeling Perspective
- CVPR 2025CheXWorld: Exploring Image World Modeling for Radiograph Representation Learning
- CVPR 2025Collaborative Decoding Makes Visual Auto-Regressive Modeling Efficient
- CVPR 2025Diffusion-based Realistic Listening Head Generation via Hybrid Motion Modeling
- CVPR 2025EnvGS: Modeling View-Dependent Appearance with Environment Gaussian
- CVPR 2025EnvPoser: Environment-aware Realistic Human Motion Estimation from Sparse Observations with Uncertainty Modeling
- CVPR 2025Extrapolating and Decoupling Image-to-Video Generation Models: Motion Modeling is Easier Than You Think
- CVPR 2025FreeCloth: Free-form Generation Enhances Challenging Clothed Human Modeling
- CVPR 2025Generative Modeling of Class Probability for Multi-Modal Representation Learning
- CVPR 2025GeoDepth: From Point-to-Depth to Plane-to-Depth Modeling for Self-Supervised Monocular Depth Estimation
- CVPR 2025GroomLight: Hybrid Inverse Rendering for Relightable Human Hair Appearance Modeling
- CVPR 2025Identity-Clothing Similarity Modeling for Unsupervised Clothing Change Person Re-Identification
- CVPR 2025Illumination Spectrum Estimation for Multispectral Images via Surface Reflectance Modeling and Spatial-Spectral Feature Generation
- CVPR 2025Infinity: Scaling Bitwise AutoRegressive Modeling for High-Resolution Image Synthesis
- CVPR 2025LeanGaussian: Breaking Pixel or Point Cloud Correspondence in Modeling 3D Gaussians
- CVPR 2025LOCORE: Image Re-ranking with Long-Context Sequence Modeling
- CVPR 2025MagicArticulate: Make Your 3D Models Articulation-Ready
- CVPR 2025Masked Scene Modeling: Narrowing the Gap Between Supervised and Self-Supervised Learning in 3D Scene Understanding
- CVPR 2025MeshArt: Generating Articulated Meshes with Structure-Guided Transformers
- CVPR 2025MMAR: Towards Lossless Multi-Modal Auto-Regressive Probabilistic Modeling
- CVPR 2025Modeling Multiple Normal Action Representations for Error Detection in Procedural Tasks
- CVPR 2025ModeSeq: Taming Sparse Multimodal Motion Prediction with Sequential Mode Modeling
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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.