Cover Image

Multi-Alignment Contrastive Learning for Enzyme--Reaction Retrieval

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Zhou, Gengmo, Yu, Feng, Wang, Wenda, Gao, Zhifeng, Ke, Guolin, Wei, Zhewei, Wang, Zhen
Format:	Preprint
Published:	2025
Subjects:	Biomolecules Machine Learning
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

S-MolSearch: 3D Semi-supervised Contrastive Learning for Bioactive Molecule Search
by: Zhou, Gengmo, et al.
Published: (2024)

Uni-Mol Docking V2: Towards Realistic and Accurate Binding Pose Prediction
by: Alcaide, Eric, et al.
Published: (2024)

Beyond Atoms: Enhancing Molecular Pretrained Representations with 3D Space Modeling
by: Lu, Shuqi, et al.
Published: (2025)

Thin Bridges for Drug Text Alignment: Lightweight Contrastive Learning for Target Specific Drug Retrieval
by: Tupakula, Mallikarjuna
Published: (2025)

CARE: a Benchmark Suite for the Classification and Retrieval of Enzymes
by: Yang, Jason, et al.
Published: (2024)

EnzyCLIP: A Cross-Attention Dual Encoder Framework with Contrastive Learning for Predicting Enzyme Kinetic Constants
by: Khan, Anas Aziz, et al.
Published: (2025)

Unified Cross-Scale 3D Generation and Understanding via Autoregressive Modeling
by: Lu, Shuqi, et al.
Published: (2025)

EnzyControl: Adding Functional and Substrate-Specific Control for Enzyme Backbone Generation
by: Song, Chao, et al.
Published: (2025)

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

zERExtractor:An Automated Platform for Enzyme-Catalyzed Reaction Data Extraction from Scientific Literature
by: Zhou, Rui, et al.
Published: (2025)

ZeroDDI: A Zero-Shot Drug-Drug Interaction Event Prediction Method with Semantic Enhanced Learning and Dual-Modal Uniform Alignment
by: Wang, Ziyan, et al.
Published: (2024)

AANet: Virtual Screening under Structural Uncertainty via Alignment and Aggregation
by: Zhu, Wenyu, et al.
Published: (2025)

Hierarchical Multi-Label Contrastive Learning for Protein-Protein Interaction Prediction Across Organisms
by: Liu, Shiyi, et al.
Published: (2025)

UniCorn: A Unified Contrastive Learning Approach for Multi-view Molecular Representation Learning
by: Feng, Shikun, et al.
Published: (2024)

Improving Paratope and Epitope Prediction by Multi-Modal Contrastive Learning and Interaction Informativeness Estimation
by: Wang, Zhiwei, et al.
Published: (2024)

A Multi-Modal Contrastive Diffusion Model for Therapeutic Peptide Generation
by: Wang, Yongkang, et al.
Published: (2023)

A Heterogeneous Network-based Contrastive Learning Approach for Predicting Drug-Target Interaction
by: Hu, Junwei, et al.
Published: (2024)

Multimodal Regression for Enzyme Turnover Rates Prediction
by: Hu, Bozhen, et al.
Published: (2025)

Fast and Accurate Antibody Sequence Design via Structure Retrieval
by: Zhang, Xingyi, et al.
Published: (2025)

Interpretable Enzyme Function Prediction via Residue-Level Detection
by: Yang, Zhao, et al.
Published: (2025)

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

Steering Generative Models with Experimental Data for Protein Fitness Optimization
by: Yang, Jason, et al.
Published: (2025)

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

Learning Multi-view Molecular Representations with Structured and Unstructured Knowledge
by: Luo, Yizhen, et al.
Published: (2024)

Contrastive Multi-Task Learning with Solvent-Aware Augmentation for Drug Discovery
by: Lan, Jing, et al.
Published: (2025)

3D-Mol: A Novel Contrastive Learning Framework for Molecular Property Prediction with 3D Information
by: Kuang, Taojie, et al.
Published: (2023)

Bridging the Gap between Chemical Reaction Pretraining and Conditional Molecule Generation with a Unified Model
by: Qiang, Bo, et al.
Published: (2023)

Floating Anchor Diffusion Model for Multi-motif Scaffolding
by: Liu, Ke, et al.
Published: (2024)

Integrating Protein Dynamics into Structure-Based Drug Design via Full-Atom Stochastic Flows
by: Zhou, Xiangxin, et al.
Published: (2025)

ProtCLIP: Function-Informed Protein Multi-Modal Learning
by: Zhou, Hanjing, et al.
Published: (2024)

Proteomic Learning of Gamma-Aminobutyric Acid (GABA) Receptor-Mediated Anesthesia
by: Jiang, Jian, et al.
Published: (2025)

DrugCLIP: Contrastive Drug-Disease Interaction For Drug Repurposing
by: Lu, Yingzhou, et al.
Published: (2024)

GeomCLIP: Contrastive Geometry-Text Pre-training for Molecules
by: Xiao, Teng, et al.
Published: (2024)

Curriculum Learning for Biological Sequence Prediction: The Case of De Novo Peptide Sequencing
by: Zhang, Xiang, et al.
Published: (2025)

Multi-Fidelity Active Learning with GFlowNets
by: Hernandez-Garcia, Alex, et al.
Published: (2023)

Multi-Scale Representation Learning for Protein Fitness Prediction
by: Zhang, Zuobai, et al.
Published: (2024)

DecompOpt: Controllable and Decomposed Diffusion Models for Structure-based Molecular Optimization
by: Zhou, Xiangxin, et al.
Published: (2024)

Multi-domain Distribution Learning for De Novo Drug Design
by: Schneuing, Arne, et al.
Published: (2025)

Coder as Editor: Code-driven Interpretable Molecular Optimization
by: Zhu, Wenyu, et al.
Published: (2025)

PSC-CPI: Multi-Scale Protein Sequence-Structure Contrasting for Efficient and Generalizable Compound-Protein Interaction Prediction
by: Wu, Lirong, et al.
Published: (2024)