Copertina

GDEGAN: Gaussian Dynamic Equivariant Graph Attention Network for Ligand Binding Site Prediction

Fuente: arXiv

Salvato in:

Dettagli Bibliografici
Autori principali:	Animesh, Bhowmick, Plaban Kumar, Mitra, Pralay
Natura:	Preprint
Pubblicazione:	2026
Soggetti:	Machine Learning
Accesso online:	Acceder al recurso
Tags:	Aggiungi Tag Nessun Tag, puoi essere il primo ad aggiungerne!!

Documenti analoghi

EquiPocket: an E(3)-Equivariant Geometric Graph Neural Network for Ligand Binding Site Prediction
di: Zhang, Yang, et al.
Pubblicazione: (2023)

FASE : A Fairness-Aware Spatiotemporal Event Graph Framework for Predictive Policing
di: Barman, Pronob Kumar, et al.
Pubblicazione: (2026)

Directed Graph-alignment Approach for Identification of Gaps in Short Answers
di: Sahu, Archana, et al.
Pubblicazione: (2025)

VN-EGNN: E(3)-Equivariant Graph Neural Networks with Virtual Nodes Enhance Protein Binding Site Identification
di: Sestak, Florian, et al.
Pubblicazione: (2024)

DecoyDB: A Dataset for Graph Contrastive Learning in Protein-Ligand Binding Affinity Prediction
di: Zhang, Yupu, et al.
Pubblicazione: (2025)

PLA-SGCN: Protein-Ligand Binding Affinity Prediction by Integrating Similar Pairs and Semi-supervised Graph Convolutional Network
di: Abbasi, Karim, et al.
Pubblicazione: (2024)

GRACE: Graph Neural Networks for Locus-of-Care Prediction under Extreme Class Imbalance
di: Kumar, Subham, et al.
Pubblicazione: (2025)

Hybrid Quantum Neural Networks for Efficient Protein-Ligand Binding Affinity Prediction
di: Jeong, Seon-Geun, et al.
Pubblicazione: (2025)

HBGSA: Hydrogen Bond Graph with Self-Attention for Drug-Target Binding Affinity Prediction
di: Kong, Junxiao, et al.
Pubblicazione: (2026)

Tensor Channel Equivariant Graph Neural Networks for Molecular Polarizability Prediction
di: Filling, Jean Philip, et al.
Pubblicazione: (2026)

Equivariant Graph Attention Networks with Structural Motifs for Predicting Cell Line-Specific Synergistic Drug Combinations
di: Schwehr, Zachary
Pubblicazione: (2024)

Relaxed Equivariant Graph Neural Networks
di: Hofgard, Elyssa, et al.
Pubblicazione: (2024)

Graph Attention Network for Optimal User Association in Wireless Networks
di: Mirzaei, Javad, et al.
Pubblicazione: (2025)

DualBind: A Dual-Loss Framework for Protein-Ligand Binding Affinity Prediction
di: Liu, Meng, et al.
Pubblicazione: (2024)

AbAffinity: A Large Language Model for Predicting Antibody Binding Affinity against SARS-CoV-2
di: Ashraf, Faisal Bin, et al.
Pubblicazione: (2026)

h-MINT: Modeling Pocket-Ligand Binding with Hierarchical Molecular Interaction Network
di: Qu, Yanru, et al.
Pubblicazione: (2026)

Quantized SO(3)-Equivariant Graph Neural Networks for Efficient Molecular Property Prediction
di: Zhou, Haoyu, et al.
Pubblicazione: (2026)

Graph Collaborative Attention Network for Link Prediction in Knowledge Graphs
di: Hoang-Minh, Thanh
Pubblicazione: (2025)

Dynamic Graph Attention Networks for Travel Time Distribution Prediction in Urban Arterial Roads
di: Yousefzadeh, Nooshin, et al.
Pubblicazione: (2024)

Learning Protein-Ligand Binding in Hyperbolic Space
di: Wang, Jianhui, et al.
Pubblicazione: (2025)

A Large-Scale Dataset and Benchmark: Do Protein-Ligand Models Learn Binding Sites or Just Binding Likelihood?
di: Meng, Zhaohan, et al.
Pubblicazione: (2026)

Equivariant Spatio-Temporal Attentive Graph Networks to Simulate Physical Dynamics
di: Wu, Liming, et al.
Pubblicazione: (2024)

Morphological-Symmetry-Equivariant Heterogeneous Graph Neural Network for Robotic Dynamics Learning
di: Xie, Fengze, et al.
Pubblicazione: (2024)

DynamicDTA: Drug-Target Binding Affinity Prediction Using Dynamic Descriptors and Graph Representation
di: Luo, Dan, et al.
Pubblicazione: (2025)

Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding Site Design
di: Stärk, Hannes, et al.
Pubblicazione: (2023)

ATLAS: Adaptive Topology-based Learning at Scale for Homophilic and Heterophilic Graphs
di: Kundu, Turja, et al.
Pubblicazione: (2025)

Equivariant Graph Network Approximations of High-Degree Polynomials for Force Field Prediction
di: Xu, Zhao, et al.
Pubblicazione: (2024)

Attention-based Dynamic Multilayer Graph Neural Networks for Loan Default Prediction
di: Zandi, Sahab, et al.
Pubblicazione: (2024)

Relaxing Continuous Constraints of Equivariant Graph Neural Networks for Physical Dynamics Learning
di: Zheng, Zinan, et al.
Pubblicazione: (2024)

CAME-AB: Cross-Modality Attention with Mixture-of-Experts for Antibody Binding Site Prediction
di: Li, Hongzong, et al.
Pubblicazione: (2025)

KEPLA: A Knowledge-Enhanced Deep Learning Framework for Accurate Protein-Ligand Binding Affinity Prediction
di: Liu, Han, et al.
Pubblicazione: (2025)

Spacetime $E(n)$-Transformer: Equivariant Attention for Spatio-temporal Graphs
di: Charles, Sergio G.
Pubblicazione: (2024)

INSPIRE-GNN: Intelligent Sensor Placement to Improve Sparse Bicycling Network Prediction via Reinforcement Learning Boosted Graph Neural Networks
di: Gupta, Mohit, et al.
Pubblicazione: (2025)

Site4Drug: Predicting Drug-Binding Target Sites with an AI Agent
di: Kim, Taehan, et al.
Pubblicazione: (2026)

Graph Neural Networks for Edge Signals: Orientation Equivariance and Invariance
di: Fuchsgruber, Dominik, et al.
Pubblicazione: (2024)

Gauge-Equivariant Graph Networks via Self-Interference Cancellation
di: Choi, Yoonhyuk, et al.
Pubblicazione: (2025)

ETDock: A Novel Equivariant Transformer for Protein-Ligand Docking
di: Yi, Yiqiang, et al.
Pubblicazione: (2023)

WindMiL: Equivariant Graph Learning for Wind Loading Prediction
di: Vargiemezis, Themistoklis, et al.
Pubblicazione: (2025)

Focus Where It Matters: Graph Selective State Focused Attention Networks
di: Vashistha, Shikhar, et al.
Pubblicazione: (2024)

On Machine Learning Approaches for Protein-Ligand Binding Affinity Prediction
di: Schapin, Nikolai, et al.
Pubblicazione: (2024)