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

184 papers, page 3 of 4

101. CVPR 2025SegMAN: Omni-scale Context Modeling with State Space Models and Local Attention for Semantic Segmentation
102. CVPR 2025SpecTRe-GS: Modeling Highly Specular Surfaces with Reflected Nearby Objects by Tracing Rays in 3D Gaussian Splatting
103. CVPR 2025Textured Gaussians for Enhanced 3D Scene Appearance Modeling
104. CVPR 2025Towards Realistic Example-based Modeling via 3D Gaussian Stitching
105. CVPR 2025Unsupervised Continual Domain Shift Learning with Multi-Prototype Modeling
106. CVPR 2025VideoSPatS: Video SPatiotemporal Splines for Disentangled Occlusion, Appearance and Motion Modeling and Editing
107. CVPR 2025VidMuse: A Simple Video-to-Music Generation Framework with Long-Short-Term Modeling
108. CVPR 2025World-consistent Video Diffusion with Explicit 3D Modeling
109. CVPR 2024Animatable Gaussians: Learning Pose-dependent Gaussian Maps for High-fidelity Human Avatar Modeling
110. CVPR 2024Differentiable Neural Surface Refinement for Modeling Transparent Objects
111. CVPR 2024EVS-assisted Joint Deblurring Rolling-Shutter Correction and Video Frame Interpolation through Sensor Inverse Modeling
112. CVPR 2024Gaussian Head Avatar: Ultra High-fidelity Head Avatar via Dynamic Gaussians
113. CVPR 2024GaussianAvatar: Towards Realistic Human Avatar Modeling from a Single Video via Animatable 3D Gaussians
114. CVPR 2024GoMAvatar: Efficient Animatable Human Modeling from Monocular Video Using Gaussians-on-Mesh
115. CVPR 2024InceptionNeXt: When Inception Meets ConvNeXt
116. CVPR 2024Infrared Adversarial Car Stickers
117. CVPR 2024L4D-Track: Language-to-4D Modeling Towards 6-DoF Tracking and Shape Reconstruction in 3D Point Cloud Stream
118. CVPR 2024LightIt: Illumination Modeling and Control for Diffusion Models
119. CVPR 2024Modeling Dense Multimodal Interactions Between Biological Pathways and Histology for Survival Prediction
120. CVPR 2024Molecular Data Programming: Towards Molecule Pseudo-labeling with Systematic Weak Supervision
121. CVPR 2024MoMask: Generative Masked Modeling of 3D Human Motions
122. CVPR 2024MonoHair: High-Fidelity Hair Modeling from a Monocular Video
123. CVPR 2024Multi-scale Dynamic and Hierarchical Relationship Modeling for Facial Action Units Recognition
124. CVPR 2024Neural Directional Encoding for Efficient and Accurate View-Dependent Appearance Modeling
125. CVPR 2024Non-Rigid Structure-from-Motion: Temporally-Smooth Procrustean Alignment and Spatially-Variant Deformation Modeling
126. CVPR 2024Normalizing Flows on the Product Space of SO(3) Manifolds for Probabilistic Human Pose Modeling
127. CVPR 2024Object Dynamics Modeling with Hierarchical Point Cloud-based Representations
128. CVPR 2024Scaling Up Dynamic Human-Scene Interaction Modeling
129. CVPR 2024Seeing Unseen: Discover Novel Biomedical Concepts via Geometry-Constrained Probabilistic Modeling
130. CVPR 2024SeNM-VAE: Semi-Supervised Noise Modeling with Hierarchical Variational Autoencoder
131. CVPR 2024SfmCAD: Unsupervised CAD Reconstruction by Learning Sketch-based Feature Modeling Operations
132. CVPR 2024Skeleton-in-Context: Unified Skeleton Sequence Modeling with In-Context Learning
133. CVPR 2024Smart Help: Strategic Opponent Modeling for Proactive and Adaptive Robot Assistance in Households
134. CVPR 2024SurMo: Surface-based 4D Motion Modeling for Dynamic Human Rendering
135. CVPR 2024SVDinsTN: A Tensor Network Paradigm for Efficient Structure Search from Regularized Modeling Perspective
136. CVPR 2024Task2Box: Box Embeddings for Modeling Asymmetric Task Relationships
137. CVPR 2024Video Prediction by Modeling Videos as Continuous Multi-Dimensional Processes
138. CVPR 2024X-3D: Explicit 3D Structure Modeling for Point Cloud Recognition
139. CVPR 2024XFibrosis: Explicit Vessel-Fiber Modeling for Fibrosis Staging from Liver Pathology Images
140. CVPR 2023Accelerating Vision-Language Pretraining With Free Language Modeling
141. CVPR 2023BAAM: Monocular 3D Pose and Shape Reconstruction With Bi-Contextual Attention Module and Attention-Guided Modeling
142. CVPR 2023Biomechanics-Guided Facial Action Unit Detection Through Force Modeling
143. CVPR 2023BlendFields: Few-Shot Example-Driven Facial Modeling
144. CVPR 2023CAP: Robust Point Cloud Classification via Semantic and Structural Modeling
145. CVPR 2023CloSET: Modeling Clothed Humans on Continuous Surface With Explicit Template Decomposition
146. CVPR 2023DANI-Net: Uncalibrated Photometric Stereo by Differentiable Shadow Handling, Anisotropic Reflectance Modeling, and Neural Inverse Rendering
147. CVPR 2023Delving Into Discrete Normalizing Flows on SO(3) Manifold for Probabilistic Rotation Modeling
148. CVPR 2023DNeRV: Modeling Inherent Dynamics via Difference Neural Representation for Videos
149. CVPR 2023Effective Ambiguity Attack Against Passport-Based DNN Intellectual Property Protection Schemes Through Fully Connected Layer Substitution
150. CVPR 2023Four-View Geometry With Unknown Radial Distortion

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.