{"total":37,"rows":[{"id":"2210.16484","title":"A Systematic Survey of Chemical Pre-trained Models","created":"2022-10-29","cited_by_count":34,"area":null},{"id":"2307.10683","title":"Fractional Denoising for 3D Molecular Pre-training","created":"2023-07-20","cited_by_count":33,"area":null},{"id":"2403.00485","title":"A Survey of Geometric Graph Neural Networks: Data Structures, Models and Applications","created":"2024-03-01","cited_by_count":28,"area":null},{"id":"2308.13212","title":"SEGNO: Generalizing Equivariant Graph Neural Networks with Physical Inductive Biases","created":"2023-08-25","cited_by_count":27,"area":null},{"id":"2306.09375","title":"Symmetry-Informed Geometric Representation for Molecules, Proteins, and Crystalline Materials","created":"2023-06-15","cited_by_count":22,"area":null},{"id":"2410.10516","title":"UniGEM: A Unified Approach to Generation and Property Prediction for Molecules","created":"2024-10-14","cited_by_count":21,"area":null},{"id":"2306.01474","title":"Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning","created":"2023-06-02","cited_by_count":19,"area":null},{"id":"2311.02124","title":"Sliced Denoising: A Physics-Informed Molecular Pre-Training Method","created":"2023-11-03","cited_by_count":18,"area":null},{"id":"2403.09549","title":"Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields","created":"2024-03-14","cited_by_count":18,"area":null},{"id":"2405.10343","title":"UniCorn: A Unified Contrastive Learning Approach for Multi-view Molecular Representation Learning","created":"2024-05-15","cited_by_count":18,"area":null},{"id":"2410.11443","title":"Are High-Degree Representations Really Unnecessary in Equivariant Graph Neural Networks?","created":"2024-10-15","cited_by_count":18,"area":null},{"id":"2409.13194","title":"ChemDFM-X: Towards Large Multimodal Model for Chemistry","created":"2024-09-20","cited_by_count":16,"area":null},{"id":"2407.11086","title":"Pre-training with Fractional Denoising to Enhance Molecular Property Prediction","created":"2024-07-14","cited_by_count":14,"area":null},{"id":"2308.14759","title":"May the Force be with You: Unified Force-Centric Pre-Training for 3D Molecular Conformations","created":"2023-08-24","cited_by_count":13,"area":null},{"id":"2312.13583","title":"Fine-tuning Graph Neural Networks by Preserving Graph Generative Patterns","created":"2023-12-21","cited_by_count":13,"area":null},{"id":"2410.03655","title":"Geometric Representation Condition Improves Equivariant Molecule Generation","created":"2024-10-04","cited_by_count":13,"area":null},{"id":"2502.16284","title":"MolSpectra: Pre-training 3D Molecular Representation with Multi-modal Energy Spectra","created":"2025-02-22","cited_by_count":8,"area":null},{"id":"2403.12995","title":"ESM All-Atom: Multi-scale Protein Language Model for Unified Molecular Modeling","created":"2024-03-05","cited_by_count":7,"area":null},{"id":"2506.03157","title":"UniSim: A Unified Simulator for Time-Coarsened Dynamics of Biomolecules","created":"2025-05-20","cited_by_count":7,"area":null},{"id":"2310.14216","title":"UniMAP: Universal SMILES-Graph Representation Learning","created":"2023-10-22","cited_by_count":6,"area":null},{"id":"2402.07249","title":"Impact of Domain Knowledge and Multi-Modality on Intelligent Molecular Property Prediction: A Systematic Survey","created":"2024-02-11","cited_by_count":6,"area":null},{"id":"2402.12714","title":"An Equivariant Pretrained Transformer for Unified 3D Molecular Representation Learning","created":"2024-02-20","cited_by_count":5,"area":null},{"id":"2401.08986","title":"Rigid Protein-Protein Docking via Equivariant Elliptic-Paraboloid Interface Prediction","created":"2024-01-17","cited_by_count":4,"area":null},{"id":"2501.07166","title":"Natural Language-Assisted Multi-modal Medication Recommendation","created":"2025-01-13","cited_by_count":4,"area":null},{"id":"2502.08209","title":"Equivariant Masked Position Prediction for Efficient Molecular Representation","created":"2025-02-12","cited_by_count":4,"area":null},{"id":"2506.01302","title":"Recent Developments in GNNs for Drug Discovery","created":"2025-06-02","cited_by_count":3,"area":null},{"id":"2506.13174","title":"GeoRecon: Graph-Level Representation Learning for 3D Molecules via Reconstruction-Based Pretraining","created":"2025-06-16","cited_by_count":3,"area":null},{"id":"2510.13169","title":"Universally Invariant Learning in Equivariant GNNs","created":"2025-10-15","cited_by_count":3,"area":null},{"id":"2603.00568","title":"Enhancing Molecular Property Predictions by Learning from Bond Modelling and Interactions","created":"2026-02-28","cited_by_count":3,"area":null},{"id":"2408.10247","title":"MetaEnzyme: Meta Pan-Enzyme Learning for Task-Adaptive Redesign","created":"2024-08-05","cited_by_count":2,"area":null},{"id":"2503.10489","title":"Beyond Atoms: Enhancing Molecular Pretrained Representations with 3D Space Modeling","created":"2025-03-13","cited_by_count":2,"area":null},{"id":"2606.04154","title":"EpiFormer: Learning Antigen-Antibody Interactions for Epitope Prediction via Geometric Deep Learning","created":"2026-06-02","cited_by_count":1,"area":null},{"id":"2302.02055","title":"Implicit Geometry and Interaction Embeddings Improve Few-Shot Molecular Property Prediction","created":"2023-02-04","cited_by_count":0,"area":null},{"id":"2412.02957","title":"3D Interaction Geometric Pre-training for Molecular Relational Learning","created":"2024-12-04","cited_by_count":0,"area":null},{"id":"2502.11085","title":"On the Importance of Pretraining Data Alignment for Atomic Property Prediction","created":"2025-02-16","cited_by_count":0,"area":null},{"id":"2510.16780","title":"3D-GSRD: 3D Molecular Graph Auto-Encoder with Selective Re-mask Decoding","created":"2025-10-19","cited_by_count":0,"area":null},{"id":"2510.22123","title":"Learning 3D Anisotropic Noise Distributions Improves Molecular Force Field Modeling","created":"2025-10-25","cited_by_count":0,"area":null}],"next_cursor":null}