Cover Image

Geometric-Facilitated Denoising Diffusion Model for 3D Molecule Generation

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Xu, Can, Wang, Haosen, Wang, Weigang, Zheng, Pengfei, Chen, Hongyang
Format:	Preprint
Published:	2024
Subjects:	Machine Learning Artificial Intelligence Biomolecules
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Text-guided Diffusion Model for 3D Molecule Generation
by: Luo, Yanchen, et al.
Published: (2024)

Unraveling the Potential of Diffusion Models in Small Molecule Generation
by: Zhang, Peining, et al.
Published: (2025)

Apo2Mol: 3D Molecule Generation via Dynamic Pocket-Aware Diffusion Models
by: Zheng, Xinzhe, et al.
Published: (2025)

Unified Generative Modeling of 3D Molecules via Bayesian Flow Networks
by: Song, Yuxuan, et al.
Published: (2024)

Auxiliary Discrminator Sequence Generative Adversarial Networks (ADSeqGAN) for Few Sample Molecule Generation
by: Tang, Haocheng, et al.
Published: (2025)

MODA: A Unified 3D Diffusion Framework for Multi-Task Target-Aware Molecular Generation
by: Xu, Dong, et al.
Published: (2025)

t-SMILES: A Scalable Fragment-based Molecular Representation Framework for De Novo Molecule Generation
by: Wu, Juan-Ni, et al.
Published: (2023)

Repurformer: Transformers for Repurposing-Aware Molecule Generation
by: Lee, Changhun, et al.
Published: (2024)

Diffusion Models at the Drug Discovery Frontier: A Review on Generating Small Molecules versus Therapeutic Peptides
by: Wang, Yiquan, et al.
Published: (2025)

Open-Source Molecular Processing Pipeline for Generating Molecules
by: Shreyas, V, et al.
Published: (2024)

TAGMol: Target-Aware Gradient-guided Molecule Generation
by: Dorna, Vineeth, et al.
Published: (2024)

BioLM-Score: Language-Prior Conditioned Probabilistic Geometric Potentials for Protein-Ligand Scoring
by: Yang, Zhangfan, et al.
Published: (2026)

UniGEM: A Unified Approach to Generation and Property Prediction for Molecules
by: Feng, Shikun, et al.
Published: (2024)

TaxDiff: Taxonomic-Guided Diffusion Model for Protein Sequence Generation
by: Zongying, Lin, et al.
Published: (2024)

GeoMFormer: A General Architecture for Geometric Molecular Representation Learning
by: Chen, Tianlang, et al.
Published: (2024)

TurboHopp: Accelerated Molecule Scaffold Hopping with Consistency Models
by: Yoo, Kiwoong, et al.
Published: (2024)

A Survey of Generative AI for de novo Drug Design: New Frontiers in Molecule and Protein Generation
by: Tang, Xiangru, et al.
Published: (2024)

Applications of Modular Co-Design for De Novo 3D Molecule Generation
by: Reidenbach, Danny, et al.
Published: (2025)

WelQrate: Defining the Gold Standard in Small Molecule Drug Discovery Benchmarking
by: Liu, Yunchao, et al.
Published: (2024)

Bridging Quantum and Classical Computing in Drug Design: Architecture Principles for Improved Molecule Generation
by: Smith, Andrew, et al.
Published: (2025)

ControlMol: Adding Substructure Control To Molecule Diffusion Models
by: Zhengyang, Qi, et al.
Published: (2024)

Phenotypic Profile-Informed Generation of Drug-Like Molecules via Dual-Channel Variational Autoencoders
by: Liu, Hui, et al.
Published: (2025)

RTMol: Rethinking Molecule-text Alignment in a Round-trip View
by: Chen, Letian, et al.
Published: (2025)

A Systematic Evaluation of Co-folding Model Representations for Small-Molecule Learning
by: Jang, Hyosoon, et al.
Published: (2026)

A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining
by: Liu, Shengchao, et al.
Published: (2023)

Manifold-Constrained Nucleus-Level Denoising Diffusion Model for Structure-Based Drug Design
by: Liu, Shengchao, et al.
Published: (2024)

Exploring the Potential of Large Language Models in Graph Generation
by: Yao, Yang, et al.
Published: (2024)

Beyond Efficiency: Molecular Data Pruning for Enhanced Generalization
by: Chen, Dingshuo, et al.
Published: (2024)

Mitigating Exposure Bias in Score-Based Generation of Molecular Conformations
by: Wang, Sijia, et al.
Published: (2024)

Contextual Molecule Representation Learning from Chemical Reaction Knowledge
by: Tang, Han, et al.
Published: (2024)

CBGBench: Fill in the Blank of Protein-Molecule Complex Binding Graph
by: Lin, Haitao, et al.
Published: (2024)

Monte Carlo Tree Diffusion with Multiple Experts for Protein Design
by: Liu, Xuefeng, et al.
Published: (2025)

Text-Guided Molecule Generation with Diffusion Language Model
by: Gong, Haisong, et al.
Published: (2024)

Deciphering Scientific Reasoning Steps from Outcome Data for Molecule Optimization
by: Liu, Zequn, et al.
Published: (2026)

Automatic Annotation Augmentation Boosts Translation between Molecules and Natural Language
by: Zhong, Zhiqiang, et al.
Published: (2025)

DEL-Ranking: Ranking-Correction Denoising Framework for Elucidating Molecular Affinities in DNA-Encoded Libraries
by: Cao, Hanqun, et al.
Published: (2024)

ControllableGPT: A Ground-Up Designed Controllable GPT for Molecule Optimization
by: Liu, Xuefeng, et al.
Published: (2025)

Protein Structure Prediction in the 3D HP Model Using Deep Reinforcement Learning
by: Espitia, Giovanny, et al.
Published: (2024)

Rethinking Diffusion Models with Symmetries through Canonicalization with Applications to Molecular Graph Generation
by: Zhou, Cai, et al.
Published: (2026)

DiffBP: Generative Diffusion of 3D Molecules for Target Protein Binding
by: Lin, Haitao, et al.
Published: (2022)