Cover Image

F$^3$low: Frame-to-Frame Coarse-grained Molecular Dynamics with SE(3) Guided Flow Matching

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Li, Shaoning, Wang, Yusong, Li, Mingyu, Zhang, Jian, Shao, Bin, Zheng, Nanning, Tang, Jian
Format:	Preprint
Published:	2024
Subjects:	Quantitative Methods Artificial Intelligence Machine Learning
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Improving AlphaFlow for Efficient Protein Ensembles Generation
by: Li, Shaoning, et al.
Published: (2024)

Pretraining a Foundation Model for Small-Molecule Natural Products
by: Ding, Yuheng, et al.
Published: (2025)

Deep Signature: Characterization of Large-Scale Molecular Dynamics
by: Qin, Tiexin, et al.
Published: (2024)

SynCraft: Guiding Large Language Models to Predict Edit Sequences for Molecular Synthesizability Optimization
by: Li, Junren, et al.
Published: (2025)

FAFE: Immune Complex Modeling with Geodesic Distance Loss on Noisy Group Frames
by: Wu, Ruidong, et al.
Published: (2024)

dyAb: Flow Matching for Flexible Antibody Design with AlphaFold-driven Pre-binding Antigen
by: Tan, Cheng, et al.
Published: (2025)

THFlow: A Temporally Hierarchical Flow Matching Framework for 3D Peptide Design
by: Huang, Dengdeng, et al.
Published: (2025)

scDFM: Distributional Flow Matching Model for Robust Single-Cell Perturbation Prediction
by: Yu, Chenglei, et al.
Published: (2026)

ET-Flow: Equivariant Flow-Matching for Molecular Conformer Generation
by: Hassan, Majdi, et al.
Published: (2024)

GTR-CoT: Graph Traversal as Visual Chain of Thought for Molecular Structure Recognition
by: Wang, Jingchao, et al.
Published: (2025)

Molecular Odor Prediction Based on Multi-Feature Graph Attention Networks
by: Xie, HongXin, et al.
Published: (2025)

Multiscale Cross-Modal Mapping of Molecular, Pathologic, and Radiologic Phenotypes in Lipid-Deficient Clear Cell Renal CellCarcinoma
by: Cui, Ying, et al.
Published: (2025)

Scalable Spatio-Temporal SE(3) Diffusion for Long-Horizon Protein Dynamics
by: Shoghi, Nima, et al.
Published: (2026)

AOT*: Efficient Synthesis Planning via LLM-Empowered AND-OR Tree Search
by: Song, Xiaozhuang, et al.
Published: (2025)

ProtoCycle: Reflective Tool-Augmented Planning for Text-Guided Protein Design
by: Ge, Yutang, et al.
Published: (2026)

CROP: Integrating Topological and Spatial Structures via Cross-View Prefixes for Molecular LLMs
by: Tang, Jianting, et al.
Published: (2025)

CORE -- A Cell-Level Coarse-to-Fine Image Registration Engine for Multi-stain Image Alignment
by: Nasir, Esha Sadia, et al.
Published: (2025)

PharmacoMatch: Efficient 3D Pharmacophore Screening via Neural Subgraph Matching
by: Rose, Daniel, et al.
Published: (2024)

Flow-Matching Based Refiner for Molecular Conformer Generation
by: Xu, Xiangyang, et al.
Published: (2025)

HSA-Net: Hierarchical and Structure-Aware Framework for Efficient and Scalable Molecular Language Modeling
by: Shao, Zihang, et al.
Published: (2025)

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

CaLMFlow: Volterra Flow Matching using Causal Language Models
by: He, Sizhuang, et al.
Published: (2024)

A Universal Space of Brain Dynamics for Unveiling Cognitive Transitions and Individual Differences
by: Zheng, Ronghua, et al.
Published: (2026)

SigmaDock: Untwisting Molecular Docking With Fragment-Based SE(3) Diffusion
by: Prat, Alvaro, et al.
Published: (2025)

CTAGE: Curvature-Based Topology-Aware Graph Embedding for Learning Molecular Representations
by: Chen, Yili, et al.
Published: (2023)

Framing local structural identifiability and observability in terms of parameter-state symmetries
by: Borgqvist, Johannes G., et al.
Published: (2026)

EquiCPI: SE(3)-Equivariant Geometric Deep Learning for Structure-Aware Prediction of Compound-Protein Interactions
by: Nguyen, Ngoc-Quang
Published: (2025)

MolGuidance: Advanced Guidance Strategies for Conditional Molecular Generation with Flow Matching
by: Jin, Jirui, et al.
Published: (2025)

Unsupervised Discovery of Steerable Factors When Graph Deep Generative Models Are Entangled
by: Liu, Shengchao, et al.
Published: (2024)

EnzymeFlow: Generating Reaction-specific Enzyme Catalytic Pockets through Flow Matching and Co-Evolutionary Dynamics
by: Hua, Chenqing, et al.
Published: (2024)

Molecular Odor Prediction with Harmonic Modulated Feature Mapping and Chemically-Informed Loss
by: Xie, HongXin, et al.
Published: (2025)

Interpretable Droplet Digital PCR Assay for Trustworthy Molecular Diagnostics
by: Wei, Yuanyuan, et al.
Published: (2025)

A Hitchhiker's Guide to Geometric GNNs for 3D Atomic Systems
by: Duval, Alexandre, et al.
Published: (2023)

Bayesian-Guided Generation of Synthetic Microbiomes with Minimized Pathogenicity
by: Pillai, Nisha, et al.
Published: (2024)

Pharmacophore-Guided Generative Design of Novel Drug-Like Molecules
by: Podplutova, Ekaterina, et al.
Published: (2025)

RISE: Radius of Influence based Subgraph Extraction for 3D Molecular Graph Explanation
by: Qu, Jingxiang, et al.
Published: (2025)

Quotient-Space Diffusion Models
by: Xu, Yixian, et al.
Published: (2026)

DiffNMR2: NMR Guided Sampling Acquisition Through Diffusion Model Uncertainty
by: Goffinet, Etienne, et al.
Published: (2025)

AbFlow : End-to-end Paratope-Centric Antibody Design by Interaction Enhanced Flow Matching
by: Wang, Wenda, et al.
Published: (2026)

A Text-guided Protein Design Framework
by: Liu, Shengchao, et al.
Published: (2023)