Uni-Mol3: A Multi-Molecular Foundation Model for Advancing Organic Reaction Modeling
Fuente:
arXiv
Guardado en:
| Autores principales: | Wu, Lirong, Wang, Junjie, Gao, Zhifeng, Ji, Xiaohong, Zhu, Rong, Li, Xinyu, Zhang, Linfeng, Ke, Guolin, E, Weinan |
|---|---|
| Formato: | Preprint |
| Publicado: |
2025
|
| Materias: | |
| Acceso en línea: | |
| Etiquetas: |
Agregar Etiqueta
Sin Etiquetas, Sea el primero en etiquetar este registro!
|
Ejemplares similares
Uni-Mol2: Exploring Molecular Pretraining Model at Scale
por: Ji, Xiaohong, et al.
Publicado: (2024)
por: Ji, Xiaohong, et al.
Publicado: (2024)
NMR-Solver: Automated Structure Elucidation via Large-Scale Spectral Matching and Physics-Guided Fragment Optimization
por: Jin, Yongqi, et al.
Publicado: (2025)
por: Jin, Yongqi, et al.
Publicado: (2025)
SynBridge: Bridging Reaction States via Discrete Flow for Bidirectional Reaction Prediction
por: Lin, Haitao, et al.
Publicado: (2025)
por: Lin, Haitao, et al.
Publicado: (2025)
Uni-ELF: A Multi-Level Representation Learning Framework for Electrolyte Formulation Design
por: Zeng, Boshen, et al.
Publicado: (2024)
por: Zeng, Boshen, et al.
Publicado: (2024)
RoFt-Mol: Benchmarking Robust Fine-Tuning with Molecular Graph Foundation Models
por: Liu, Shikun, et al.
Publicado: (2025)
por: Liu, Shikun, et al.
Publicado: (2025)
UBio-MolFM: A Universal Molecular Foundation Model for Bio-Systems
por: Huang, Lin, et al.
Publicado: (2026)
por: Huang, Lin, et al.
Publicado: (2026)
Uni-Mol Docking V2: Towards Realistic and Accurate Binding Pose Prediction
por: Alcaide, Eric, et al.
Publicado: (2024)
por: Alcaide, Eric, et al.
Publicado: (2024)
MolSpectra: Pre-training 3D Molecular Representation with Multi-modal Energy Spectra
por: Wang, Liang, et al.
Publicado: (2025)
por: Wang, Liang, et al.
Publicado: (2025)
Beyond Atoms: Enhancing Molecular Pretrained Representations with 3D Space Modeling
por: Lu, Shuqi, et al.
Publicado: (2025)
por: Lu, Shuqi, et al.
Publicado: (2025)
Vib2Mol: from vibrational spectra to molecular structures-a unified deep learning framework
por: Lu, Xinyu, et al.
Publicado: (2025)
por: Lu, Xinyu, et al.
Publicado: (2025)
MolSculpt: Sculpting 3D Molecular Geometries from Chemical Syntax
por: Chen, Zhanpeng, et al.
Publicado: (2025)
por: Chen, Zhanpeng, et al.
Publicado: (2025)
Unified Cross-Scale 3D Generation and Understanding via Autoregressive Modeling
por: Lu, Shuqi, et al.
Publicado: (2025)
por: Lu, Shuqi, et al.
Publicado: (2025)
Mol-LLaMA: Towards General Understanding of Molecules in Large Molecular Language Model
por: Kim, Dongki, et al.
Publicado: (2025)
por: Kim, Dongki, et al.
Publicado: (2025)
High-Accuracy Physical Property Prediction for Organics via Molecular Representation Learning: Bridging Data to Discovery
por: Ou, Qi, et al.
Publicado: (2025)
por: Ou, Qi, et al.
Publicado: (2025)
Suiren-1.0 Technical Report: A Family of Molecular Foundation Models
por: An, Junyi, et al.
Publicado: (2026)
por: An, Junyi, et al.
Publicado: (2026)
MolFusion: Multimodal Fusion Learning for Molecular Representations via Multi-granularity Views
por: Cai, Muzhen, et al.
Publicado: (2024)
por: Cai, Muzhen, et al.
Publicado: (2024)
MolReasoner: Toward Effective and Interpretable Reasoning for Molecular LLMs
por: Zhao, Guojiang, et al.
Publicado: (2025)
por: Zhao, Guojiang, et al.
Publicado: (2025)
TrustMol: Trustworthy Inverse Molecular Design via Alignment with Molecular Dynamics
por: Wijaya, Kevin Tirta, et al.
Publicado: (2024)
por: Wijaya, Kevin Tirta, et al.
Publicado: (2024)
End-to-End Crystal Structure Prediction from Powder X-Ray Diffraction
por: Lai, Qingsi, et al.
Publicado: (2024)
por: Lai, Qingsi, et al.
Publicado: (2024)
Tokenization for Molecular Foundation Models
por: Wadell, Alexius, et al.
Publicado: (2024)
por: Wadell, Alexius, et al.
Publicado: (2024)
UniField: RBF-Guided Electron Density Fusion for Enhanced Molecular Representations
por: Zhang, Wei, et al.
Publicado: (2026)
por: Zhang, Wei, et al.
Publicado: (2026)
Deep Learning Foundation Models from Classical Molecular Descriptors
por: Burns, Jackson W., et al.
Publicado: (2025)
por: Burns, Jackson W., et al.
Publicado: (2025)
Mol-LLM: Multimodal Generalist Molecular LLM with Improved Graph Utilization
por: Lee, Chanhui, et al.
Publicado: (2025)
por: Lee, Chanhui, et al.
Publicado: (2025)
Accelerating Molecular Dynamics Simulations with Foundation Neural Network Models using Multiple Time-Step and Distillation
por: Cattin, Côme, et al.
Publicado: (2025)
por: Cattin, Côme, et al.
Publicado: (2025)
GP-MoLFormer: A Foundation Model For Molecular Generation
por: Ross, Jerret, et al.
Publicado: (2024)
por: Ross, Jerret, et al.
Publicado: (2024)
ControlMol: Adding Substructure Control To Molecule Diffusion Models
por: Zhengyang, Qi, et al.
Publicado: (2024)
por: Zhengyang, Qi, et al.
Publicado: (2024)
MACE-POLAR-1: A Polarisable Electrostatic Foundation Model for Molecular Chemistry
por: Batatia, Ilyes, et al.
Publicado: (2026)
por: Batatia, Ilyes, et al.
Publicado: (2026)
Advancements in Desilylation Reactions for the Synthesis of Valuable Organic Molecules
por: Chuang Liu, et al.
Publicado: (2024)
por: Chuang Liu, et al.
Publicado: (2024)
Cooperative Chemical Reactions in Optical Cavities: A Complex Interplay of Mode Hybridization, Timescale Balance, and Pathway Interference
por: Ke, Yaling
Publicado: (2026)
por: Ke, Yaling
Publicado: (2026)
Advances in Single‐Atom Catalysts for Acidic and Alkaline Oxygen Evolution Reactions: Mechanisms and Applications
por: Zhangshui Deng, et al.
Publicado: (2025)
por: Zhangshui Deng, et al.
Publicado: (2025)
Tokenizing Electron Cloud in Protein-Ligand Interaction Learning
por: Lin, Haitao, et al.
Publicado: (2025)
por: Lin, Haitao, et al.
Publicado: (2025)
Data Science Guiding Analysis of Organic Reaction Mechanism and Prediction
por: Giovanna Scalli Tâmega, et al.
Publicado: (2024)
por: Giovanna Scalli Tâmega, et al.
Publicado: (2024)
Large Language Models to Accelerate Organic Chemistry Synthesis
por: Zhang, Yu, et al.
Publicado: (2025)
por: Zhang, Yu, et al.
Publicado: (2025)
Cover Picture: Organic Photoredox Reactions in Two‐Molecule Photoredox System (Chem. Rec. 3/2024)
por: Yasuharu Yoshimi
Publicado: (2024)
por: Yasuharu Yoshimi
Publicado: (2024)
Scaling Machine Learning Interatomic Potentials with Mixtures of Experts
por: Liu, Yuzhi, et al.
Publicado: (2026)
por: Liu, Yuzhi, et al.
Publicado: (2026)
PropMolFlow: Property-Guided Molecule Generation with Geometry-Complete Flow Matching
por: Zeng, Cheng, et al.
Publicado: (2025)
por: Zeng, Cheng, et al.
Publicado: (2025)
Re-Dock: Towards Flexible and Realistic Molecular Docking with Diffusion Bridge
por: Huang, Yufei, et al.
Publicado: (2024)
por: Huang, Yufei, et al.
Publicado: (2024)
Foundation Models for Atomistic Simulation of Chemistry and Materials
por: Yuan, Eric C. -Y., et al.
Publicado: (2025)
por: Yuan, Eric C. -Y., et al.
Publicado: (2025)
Modeling Reactions on the Solid-Liquid Interface With Next Generation Extended Lagrangian Quantum-Based Molecular Dynamics
por: Grove, Rae A. Corrigan, et al.
Publicado: (2025)
por: Grove, Rae A. Corrigan, et al.
Publicado: (2025)
MolTRES: Improving Chemical Language Representation Learning for Molecular Property Prediction
por: Park, Jun-Hyung, et al.
Publicado: (2024)
por: Park, Jun-Hyung, et al.
Publicado: (2024)
Ejemplares similares
-
Uni-Mol2: Exploring Molecular Pretraining Model at Scale
por: Ji, Xiaohong, et al.
Publicado: (2024) -
NMR-Solver: Automated Structure Elucidation via Large-Scale Spectral Matching and Physics-Guided Fragment Optimization
por: Jin, Yongqi, et al.
Publicado: (2025) -
SynBridge: Bridging Reaction States via Discrete Flow for Bidirectional Reaction Prediction
por: Lin, Haitao, et al.
Publicado: (2025) -
Uni-ELF: A Multi-Level Representation Learning Framework for Electrolyte Formulation Design
por: Zeng, Boshen, et al.
Publicado: (2024) -
RoFt-Mol: Benchmarking Robust Fine-Tuning with Molecular Graph Foundation Models
por: Liu, Shikun, et al.
Publicado: (2025)