Image de couverture de livre

SculptDrug : A Spatial Condition-Aware Bayesian Flow Model for Structure-based Drug Design

Fuente: arXiv

Enregistré dans:

Détails bibliographiques
Auteurs principaux:	Zhong, Qingsong, Yu, Haomin, Lin, Yan, Shen, Wangmeng, Zeng, Long, Hu, Jilin
Format:	Preprint
Publié:	2025
Sujets:	Machine Learning
Accès en ligne:	Acceder al recurso
Tags:	Ajouter un tag Pas de tags, Soyez le premier à ajouter un tag!

Documents similaires

TimeMar: Multi-Scale Autoregressive Modeling for Unconditional Time Series Generation
par: Xu, Xiangyu, et autres
Publié: (2026)

Rectified Flow For Structure Based Drug Design
par: Zhang, Daiheng, et autres
Publié: (2024)

Structure-based Drug Design with Equivariant Diffusion Models
par: Schneuing, Arne, et autres
Publié: (2022)

Generative Flows on Synthetic Pathway for Drug Design
par: Seo, Seonghwan, et autres
Publié: (2024)

AUTODIFF: Autoregressive Diffusion Modeling for Structure-based Drug Design
par: Li, Xinze, et autres
Publié: (2024)

SSD-TS: Exploring the Potential of Linear State Space Models for Diffusion Models in Time Series Imputation
par: Gao, Hongfan, et autres
Publié: (2024)

EvoEGF-Mol: Evolving Exponential Geodesic Flow for Structure-based Drug Design
par: Jin, Yaowei, et autres
Publié: (2026)

Binding-Adaptive Diffusion Models for Structure-Based Drug Design
par: Huang, Zhilin, et autres
Publié: (2024)

Geometric-informed GFlowNets for Structure-Based Drug Design
par: Lee, Grayson, et autres
Publié: (2024)

TacoGFN: Target-conditioned GFlowNet for Structure-based Drug Design
par: Shen, Tony, et autres
Publié: (2023)

MSCoD: An Enhanced Bayesian Updating Framework with Multi-Scale Information Bottleneck and Cooperative Attention for Structure-Based Drug Design
par: Xu, Long, et autres
Publié: (2025)

TransDiffSBDD: Causality-Aware Multi-Modal Structure-Based Drug Design
par: Hu, Xiuyuan, et autres
Publié: (2025)

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration
par: Choi, Seungyeon, et autres
Publié: (2025)

Integrating Protein Dynamics into Structure-Based Drug Design via Full-Atom Stochastic Flows
par: Zhou, Xiangxin, et autres
Publié: (2025)

DrugR: Optimizing Molecular Drugs through LLM-based Explicit Reasoning
par: Liu, Haoran, et autres
Publié: (2026)

TrajFM: A Vehicle Trajectory Foundation Model for Region and Task Transferability
par: Lin, Yan, et autres
Publié: (2024)

TransferTraj: A Vehicle Trajectory Learning Model for Region and Task Transferability
par: Wei, Tonglong, et autres
Publié: (2025)

Pharmacophore-Conditioned Diffusion Model for Ligand-Based De Novo Drug Design
par: Alakhdar, Amira, et autres
Publié: (2025)

Molecule Generation for Drug Design: a Graph Learning Perspective
par: Yang, Nianzu, et autres
Publié: (2022)

TrajCogn: Leveraging LLMs for Cognizing Movement Patterns and Travel Purposes from Trajectories
par: Zhou, Zeyu, et autres
Publié: (2024)

Decomposed Direct Preference Optimization for Structure-Based Drug Design
par: Cheng, Xiwei, et autres
Publié: (2024)

Graph-augmented Convolutional Networks on Drug-Drug Interactions Prediction
par: Zhong, Yi, et autres
Publié: (2019)

DecompDiff: Diffusion Models with Decomposed Priors for Structure-Based Drug Design
par: Guan, Jiaqi, et autres
Publié: (2024)

DrugCLIP: Contrastive Drug-Disease Interaction For Drug Repurposing
par: Lu, Yingzhou, et autres
Publié: (2024)

Generative molecule evolution using 3D pharmacophore for efficient Structure-Based Drug Design
par: He, Yi, et autres
Publié: (2025)

Diversity-Aware Reinforcement Learning for de novo Drug Design
par: Svensson, Hampus Gummesson, et autres
Publié: (2024)

AMShortcut: An Inference- and Training-Efficient Inverse Design Model for Amorphous Materials
par: Lin, Yan, et autres
Publié: (2026)

OMTRA: A Multi-Task Generative Model for Structure-Based Drug Design
par: Dunn, Ian, et autres
Publié: (2025)

Sculpting Quantum Landscapes: Fubini-Study Metric Conditioning for Geometry Aware Learning in Parameterized Quantum Circuits
par: Haddou, Marwan Ait, et autres
Publié: (2025)

Guided Multi-objective Generative AI to Enhance Structure-based Drug Design
par: Kadan, Amit, et autres
Publié: (2024)

Manifold-Constrained Nucleus-Level Denoising Diffusion Model for Structure-Based Drug Design
par: Liu, Shengchao, et autres
Publié: (2024)

Preferential Multi-Objective Bayesian Optimization for Drug Discovery
par: Dang, Tai, et autres
Publié: (2025)

Hierarchical Vector Quantized Graph Autoencoder with Annealing-Based Code Selection
par: Zeng, Long, et autres
Publié: (2025)

Benchmark on Drug Target Interaction Modeling from a Drug Structure Perspective
par: Zhang, Xinnan, et autres
Publié: (2024)

BInD: Bond and Interaction-generating Diffusion Model for Multi-objective Structure-based Drug Design
par: Lee, Joongwon, et autres
Publié: (2024)

Geometric Deep Learning for Structure-Based Drug Design: A Survey
par: Zhang, Zaixi, et autres
Publié: (2023)

Conditional Chemical Language Models are Versatile Tools in Drug Discovery
par: Zhu, Lu, et autres
Publié: (2025)

Structure-Aware Contrastive Learning with Fine-Grained Binding Representations for Drug Discovery
par: Lan, Jing, et autres
Publié: (2025)

What Ails Generative Structure-based Drug Design: Expressivity is Too Little or Too Much?
par: Karczewski, Rafał, et autres
Publié: (2024)

Structure-Based Drug Design via 3D Molecular Generative Pre-training and Sampling
par: Yang, Yuwei, et autres
Publié: (2024)