{"total":35,"rows":[{"id":"2306.13089","title":"GIMLET: A Unified Graph-Text Model for Instruction-Based Molecule Zero-Shot Learning","created":"2023-05-28","cited_by_count":70,"area":null},{"id":"2205.01893","title":"Crystal Twins: Self-supervised Learning for Crystalline Material Property Prediction","created":"2022-05-04","cited_by_count":34,"area":null},{"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":"2210.14188","title":"MOFormer: Self-Supervised Transformer model for Metal-Organic Framework Property Prediction","created":"2022-10-25","cited_by_count":28,"area":null},{"id":"2405.11868","title":"Towards Graph Contrastive Learning: A Survey and Beyond","created":"2024-05-20","cited_by_count":26,"area":null},{"id":"2209.05582","title":"Graph Neural Networks for Molecules","created":"2022-09-12","cited_by_count":21,"area":null},{"id":"2211.16349","title":"BARTSmiles: Generative Masked Language Models for Molecular Representations","created":"2022-11-29","cited_by_count":18,"area":null},{"id":"2406.08473","title":"Strategies for Pretraining Neural Operators","created":"2024-06-12","cited_by_count":14,"area":null},{"id":"2303.02216","title":"Denoise Pretraining on Nonequilibrium Molecules for Accurate and Transferable Neural Potentials","created":"2023-03-03","cited_by_count":11,"area":null},{"id":"2308.16259","title":"Materials Informatics Transformer: A Language Model for Interpretable Materials Properties Prediction","created":"2023-08-30","cited_by_count":7,"area":null},{"id":"2403.06017","title":"Addressing Shortcomings in Fair Graph Learning Datasets: Towards a New Benchmark","created":"2024-03-09","cited_by_count":7,"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":"2309.17366","title":"3D-Mol: A Novel Contrastive Learning Framework for Molecular Property Prediction with 3D Information","created":"2023-09-28","cited_by_count":6,"area":null},{"id":"2310.14216","title":"UniMAP: Universal SMILES-Graph Representation Learning","created":"2023-10-22","cited_by_count":6,"area":null},{"id":"2311.17327","title":"Improving Self-supervised Molecular Representation Learning using Persistent Homology","created":"2023-11-29","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":"2401.16327","title":"PICL: Physics Informed Contrastive Learning for Partial Differential Equations","created":"2024-01-29","cited_by_count":5,"area":null},{"id":"2310.02744","title":"SALSA: Semantically-Aware Latent Space Autoencoder","created":"2023-10-04","cited_by_count":4,"area":null},{"id":"2211.02130","title":"A 3D-Shape Similarity-based Contrastive Approach to Molecular Representation Learning","created":"2022-11-03","cited_by_count":2,"area":null},{"id":"2403.18699","title":"Preventing Collapse in Contrastive Learning with Orthonormal Prototypes (CLOP)","created":"2024-03-27","cited_by_count":2,"area":null},{"id":"2411.10821","title":"GeomCLIP: Contrastive Geometry-Text Pre-training for Molecules","created":"2024-11-16","cited_by_count":2,"area":null},{"id":"2209.13492","title":"Unraveling Key Elements Underlying Molecular Property Prediction: A Systematic Study","created":"2022-09-26","cited_by_count":1,"area":null},{"id":"2210.01120","title":"Predicting CO$_2$ Absorption in Ionic Liquids with Molecular Descriptors and Explainable Graph Neural Networks","created":"2022-09-29","cited_by_count":1,"area":null},{"id":"2304.13181","title":"Sample-Specific Debiasing for Better Image-Text Models","created":"2023-04-25","cited_by_count":1,"area":null},{"id":"2309.11687","title":"Large-scale Pretraining Improves Sample Efficiency of Active Learning based Molecule Virtual Screening","created":"2023-09-20","cited_by_count":1,"area":null},{"id":"2504.20112","title":"Supervised Pretraining for Material Property Prediction","created":"2025-04-27","cited_by_count":1,"area":null},{"id":"2401.16771","title":"MolPLA: A Molecular Pretraining Framework for Learning Cores, R-Groups and their Linker Joints","created":"2024-01-30","cited_by_count":0,"area":null},{"id":"2402.15921","title":"Pretraining Strategy for Neural Potentials","created":"2024-02-24","cited_by_count":0,"area":null},{"id":"2503.17656","title":"Pretraining a Foundation Model for Small-Molecule Natural Products","created":"2025-03-22","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":"2512.07880","title":"Semi-Supervised Contrastive Learning with Orthonormal Prototypes","created":"2025-11-27","cited_by_count":0,"area":null},{"id":"2608.16005","title":"Retrieval-guided Twin Fusion with Similarity-aware Contrast for Molecule-Text Alignment","created":"2026-08-17","cited_by_count":0,"area":null},{"id":"2608.16111","title":"RetroMPA: A Molecular Property-Aware Auxiliary Framework for Enhancing Retrosynthesis Prediction","created":"2026-08-17","cited_by_count":0,"area":null},{"id":"2608.29886","title":"Structural Hierarchy and Geometry in Molecular Representation Learning","created":"2026-08-30","cited_by_count":0,"area":null}],"next_cursor":null}