molecular representation learning

Atom-level Adaptive Receptive Fields: A Pruning-Based Encoder for 2D Molecular Graphs (Student Abstract) AAAI 2026 Coordinate Denoising for Non-Equilibrium Molecular Representation Learning CVPR 2026 HSA-Net: Hierarchical and Structure-Aware Framework for Efficient and Scalable Molecular Language Modeling AAAI 2026 PharmaQA: Prompt-Based Molecular Representation Learning via Pharmacophore-Oriented Question Answering AAAI 2026 Association Pattern-enhanced Molecular Representation Learning AAAI 2025 Bridging the Gap Between Molecule and Textual Descriptions via Substructure-aware Alignment EMNLP 2025 CFD: Learning Generalized Molecular Representation via Concept-Enhanced Feedback Disentanglement ICLR 2025 Enhancing Molecular Representation Learning Through the Combination of 3D and 2D Graph Machine Learning (Student Abstract) AAAI 2025 MOL-Mamba: Enhancing Molecular Representation with Structural & Electronic Insights AAAI 2025 Self-Supervised Diffusion Models for Electron-Aware Molecular Representation Learning ICLR 2025 A probability contrastive learning framework for 3D molecular representation learning NeurIPS 2024 HAGO-Net: Hierarchical Geometric Message Passing for Molecular Representation Learning AAAI 2024 Mol-AE: Auto-Encoder Based Molecular Representation Learning With 3D Cloze Test Objective ICML 2024 MolTailor: Tailoring Chemical Molecular Representation to Specific Tasks via Text Prompts AAAI 2024 SubgDiff: A Subgraph Diffusion Model to Improve Molecular Representation Learning NeurIPS 2024 Graph-based Molecular Representation Learning IJCAI 2023 Interpretable Chirality-Aware Graph Neural Network for Quantitative Structure Activity Relationship Modeling in Drug Discovery AAAI 2023 LagNet: Deep Lagrangian Mechanics for Plug-and-Play Molecular Representation Learning AAAI 2023 Learning Invariant Molecular Representation in Latent Discrete Space NeurIPS 2023 May the Force be with You: Unified Force-Centric Pre-Training for 3D Molecular Conformations NeurIPS 2023 One Transformer Can Understand Both 2D & 3D Molecular Data ICLR 2023 SaVeNet: A Scalable Vector Network for Enhanced Molecular Representation Learning NeurIPS 2023 Towards Physically Reliable Molecular Representation Learning UAI 2023 Uncovering Neural Scaling Laws in Molecular Representation Learning NeurIPS 2023 Uni-Mol: A Universal 3D Molecular Representation Learning Framework ICLR 2023