DualEquiNet: A Dual-Space Hierarchical Equivariant Network for Large Biomolecules
Fuente:
arXiv
Guardado en:
| Autores principales: | Xu, Junjie, Zhang, Jiahao, Prakash, Mangal, Zhang, Xiang, Wang, Suhang |
|---|---|
| Formato: | Preprint |
| Publicado: |
2025
|
| Materias: | |
| Acceso en línea: | |
| Etiquetas: |
Agregar Etiqueta
Sin Etiquetas, Sea el primero en etiquetar este registro!
|
Ejemplares similares
Beyond Sequence: Impact of Geometric Context for RNA Property Prediction
por: Xu, Junjie, et al.
Publicado: (2024)
por: Xu, Junjie, et al.
Publicado: (2024)
EquiPocket: an E(3)-Equivariant Geometric Graph Neural Network for Ligand Binding Site Prediction
por: Zhang, Yang, et al.
Publicado: (2023)
por: Zhang, Yang, et al.
Publicado: (2023)
Towards a Better Model with Dual Transformer for Drug Response Prediction
por: Li, Kun, et al.
Publicado: (2022)
por: Li, Kun, et al.
Publicado: (2022)
Equivariant Blurring Diffusion for Hierarchical Molecular Conformer Generation
por: Park, Jiwoong, et al.
Publicado: (2024)
por: Park, Jiwoong, et al.
Publicado: (2024)
SE(3)-Equivariant Ternary Complex Prediction Towards Target Protein Degradation
por: Xue, Fanglei, et al.
Publicado: (2025)
por: Xue, Fanglei, et al.
Publicado: (2025)
VN-EGNN: E(3)-Equivariant Graph Neural Networks with Virtual Nodes Enhance Protein Binding Site Identification
por: Sestak, Florian, et al.
Publicado: (2024)
por: Sestak, Florian, et al.
Publicado: (2024)
Sifting through the Noise: A Survey of Diffusion Probabilistic Models and Their Applications to Biomolecules
por: Norton, Trevor, et al.
Publicado: (2024)
por: Norton, Trevor, et al.
Publicado: (2024)
Exploring the Potential of Large Language Models in Graph Generation
por: Yao, Yang, et al.
Publicado: (2024)
por: Yao, Yang, et al.
Publicado: (2024)
Phenotypic Profile-Informed Generation of Drug-Like Molecules via Dual-Channel Variational Autoencoders
por: Liu, Hui, et al.
Publicado: (2025)
por: Liu, Hui, et al.
Publicado: (2025)
EquiBoost: An Equivariant Boosting Approach to Molecular Conformation Generation
por: Yang, Yixuan, et al.
Publicado: (2025)
por: Yang, Yixuan, et al.
Publicado: (2025)
RDesign: Hierarchical Data-efficient Representation Learning for Tertiary Structure-based RNA Design
por: Tan, Cheng, et al.
Publicado: (2023)
por: Tan, Cheng, et al.
Publicado: (2023)
PDFBench: A Benchmark for De novo Protein Design from Function
por: Kuang, Jiahao, et al.
Publicado: (2025)
por: Kuang, Jiahao, et al.
Publicado: (2025)
GFlowNet Pretraining with Inexpensive Rewards
por: Pandey, Mohit, et al.
Publicado: (2024)
por: Pandey, Mohit, et al.
Publicado: (2024)
Biology-Instructions: A Dataset and Benchmark for Multi-Omics Sequence Understanding Capability of Large Language Models
por: He, Haonan, et al.
Publicado: (2024)
por: He, Haonan, et al.
Publicado: (2024)
EquiFlow: Equivariant Conditional Flow Matching with Optimal Transport for 3D Molecular Conformation Prediction
por: Tian, Qingwen, et al.
Publicado: (2024)
por: Tian, Qingwen, et al.
Publicado: (2024)
Interpreting GFlowNets for Drug Discovery: Extracting Actionable Insights for Medicinal Chemistry
por: S, Amirtha Varshini A, et al.
Publicado: (2025)
por: S, Amirtha Varshini A, et al.
Publicado: (2025)
Unifying Sequences, Structures, and Descriptions for Any-to-Any Protein Generation with the Large Multimodal Model HelixProtX
por: Chen, Zhiyuan, et al.
Publicado: (2024)
por: Chen, Zhiyuan, et al.
Publicado: (2024)
Protein Design with Dynamic Protein Vocabulary
por: Liu, Nuowei, et al.
Publicado: (2025)
por: Liu, Nuowei, et al.
Publicado: (2025)
EquiJump: Protein Dynamics Simulation via SO(3)-Equivariant Stochastic Interpolants
por: Costa, Allan dos Santos, et al.
Publicado: (2024)
por: Costa, Allan dos Santos, et al.
Publicado: (2024)
PLM-eXplain: Divide and Conquer the Protein Embedding Space
por: van Eck, Jan, et al.
Publicado: (2025)
por: van Eck, Jan, et al.
Publicado: (2025)
Conditional Latent Space Molecular Scaffold Optimization for Accelerated Molecular Design
por: Boyar, Onur, et al.
Publicado: (2024)
por: Boyar, Onur, et al.
Publicado: (2024)
Advanced Deep Learning Methods for Protein Structure Prediction and Design
por: Zhang, Yichao, et al.
Publicado: (2025)
por: Zhang, Yichao, et al.
Publicado: (2025)
Beyond Efficiency: Molecular Data Pruning for Enhanced Generalization
por: Chen, Dingshuo, et al.
Publicado: (2024)
por: Chen, Dingshuo, et al.
Publicado: (2024)
Mitigating Exposure Bias in Score-Based Generation of Molecular Conformations
por: Wang, Sijia, et al.
Publicado: (2024)
por: Wang, Sijia, et al.
Publicado: (2024)
TourSynbio: A Multi-Modal Large Model and Agent Framework to Bridge Text and Protein Sequences for Protein Engineering
por: Shen, Yiqing, et al.
Publicado: (2024)
por: Shen, Yiqing, et al.
Publicado: (2024)
Scoreformer: A Surrogate Model For Large-Scale Prediction of Docking Scores
por: Ciudad, Álvaro, et al.
Publicado: (2024)
por: Ciudad, Álvaro, et al.
Publicado: (2024)
Auxiliary Discrminator Sequence Generative Adversarial Networks (ADSeqGAN) for Few Sample Molecule Generation
por: Tang, Haocheng, et al.
Publicado: (2025)
por: Tang, Haocheng, et al.
Publicado: (2025)
S$^2$ALM: Sequence-Structure Pre-trained Large Language Model for Comprehensive Antibody Representation Learning
por: Yin, Mingze, et al.
Publicado: (2024)
por: Yin, Mingze, et al.
Publicado: (2024)
PFMBench: Protein Foundation Model Benchmark
por: Gao, Zhangyang, et al.
Publicado: (2025)
por: Gao, Zhangyang, et al.
Publicado: (2025)
EnzyPGM: Pocket-conditioned Generative Model for Substrate-specific Enzyme Design
por: Lin, Zefeng, et al.
Publicado: (2026)
por: Lin, Zefeng, et al.
Publicado: (2026)
DDIPrompt: Drug-Drug Interaction Event Prediction based on Graph Prompt Learning
por: Wang, Yingying, et al.
Publicado: (2024)
por: Wang, Yingying, et al.
Publicado: (2024)
Customized Subgraph Selection and Encoding for Drug-drug Interaction Prediction
por: Du, Haotong, et al.
Publicado: (2024)
por: Du, Haotong, et al.
Publicado: (2024)
Geometric-Facilitated Denoising Diffusion Model for 3D Molecule Generation
por: Xu, Can, et al.
Publicado: (2024)
por: Xu, Can, et al.
Publicado: (2024)
From Supervision to Exploration: What Does Protein Language Model Learn During Reinforcement Learning?
por: Cao, Hanqun, et al.
Publicado: (2025)
por: Cao, Hanqun, et al.
Publicado: (2025)
Prot2Chat: Protein LLM with Early-Fusion of Text, Sequence and Structure
por: Wang, Zhicong, et al.
Publicado: (2025)
por: Wang, Zhicong, et al.
Publicado: (2025)
Leveraging Large Language Models for enzymatic reaction prediction and characterization
por: Di Fruscia, Lorenzo, et al.
Publicado: (2025)
por: Di Fruscia, Lorenzo, et al.
Publicado: (2025)
Molecular Generative Adversarial Network with Multi-Property Optimization
por: Tang, Huidong, et al.
Publicado: (2024)
por: Tang, Huidong, et al.
Publicado: (2024)
FragmentGPT: A Unified GPT Model for Fragment Growing, Linking, and Merging in Molecular Design
por: Liu, Xuefeng, et al.
Publicado: (2025)
por: Liu, Xuefeng, et al.
Publicado: (2025)
Drug Release Modeling using Physics-Informed Neural Networks
por: Qureshi, Daanish Aleem, et al.
Publicado: (2026)
por: Qureshi, Daanish Aleem, et al.
Publicado: (2026)
Pep2Prob Benchmark: Predicting Fragment Ion Probability for MS$^2$-based Proteomics
por: Xu, Hao, et al.
Publicado: (2025)
por: Xu, Hao, et al.
Publicado: (2025)
Ejemplares similares
-
Beyond Sequence: Impact of Geometric Context for RNA Property Prediction
por: Xu, Junjie, et al.
Publicado: (2024) -
EquiPocket: an E(3)-Equivariant Geometric Graph Neural Network for Ligand Binding Site Prediction
por: Zhang, Yang, et al.
Publicado: (2023) -
Towards a Better Model with Dual Transformer for Drug Response Prediction
por: Li, Kun, et al.
Publicado: (2022) -
Equivariant Blurring Diffusion for Hierarchical Molecular Conformer Generation
por: Park, Jiwoong, et al.
Publicado: (2024) -
SE(3)-Equivariant Ternary Complex Prediction Towards Target Protein Degradation
por: Xue, Fanglei, et al.
Publicado: (2025)