UniMAP: Universal SMILES-Graph Representation Learning
Fuente:
arXiv
Saved in:
| Main Authors: | Feng, Shikun, Yang, Lixin, Huang, Yanwen, Ni, Yuyan, Ma, Weiying, Lan, Yanyan |
|---|---|
| Format: | Preprint |
| Published: |
2023
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
UniCorn: A Unified Contrastive Learning Approach for Multi-view Molecular Representation Learning
by: Feng, Shikun, et al.
Published: (2024)
by: Feng, Shikun, et al.
Published: (2024)
UniGEM: A Unified Approach to Generation and Property Prediction for Molecules
by: Feng, Shikun, et al.
Published: (2024)
by: Feng, Shikun, et al.
Published: (2024)
Contextual Molecule Representation Learning from Chemical Reaction Knowledge
by: Tang, Han, et al.
Published: (2024)
by: Tang, Han, et al.
Published: (2024)
t-SMILES: A Scalable Fragment-based Molecular Representation Framework for De Novo Molecule Generation
by: Wu, Juan-Ni, et al.
Published: (2023)
by: Wu, Juan-Ni, et al.
Published: (2023)
PharmAgents: Building a Virtual Pharma with Large Language Model Agents
by: Gao, Bowen, et al.
Published: (2025)
by: Gao, Bowen, et al.
Published: (2025)
Rethinking Specificity in SBDD: Leveraging Delta Score and Energy-Guided Diffusion
by: Gao, Bowen, et al.
Published: (2024)
by: Gao, Bowen, et al.
Published: (2024)
Orientation-Aware Graph Neural Networks for Protein Structure Representation Learning
by: Li, Jiahan, et al.
Published: (2022)
by: Li, Jiahan, et al.
Published: (2022)
Graph-level Protein Representation Learning by Structure Knowledge Refinement
by: Wang, Ge, et al.
Published: (2024)
by: Wang, Ge, et al.
Published: (2024)
Multi-level Interaction Modeling for Protein Mutational Effect Prediction
by: Mo, Yuanle, et al.
Published: (2024)
by: Mo, Yuanle, et al.
Published: (2024)
Beyond Efficiency: Molecular Data Pruning for Enhanced Generalization
by: Chen, Dingshuo, et al.
Published: (2024)
by: Chen, Dingshuo, et al.
Published: (2024)
Structure-Aware Contrastive Learning with Fine-Grained Binding Representations for Drug Discovery
by: Lan, Jing, et al.
Published: (2025)
by: Lan, Jing, et al.
Published: (2025)
Structural Interpretations of Protein Language Model Representations via Differentiable Graph Partitioning
by: Dutta, Siddhant, et al.
Published: (2026)
by: Dutta, Siddhant, et al.
Published: (2026)
Protein Representation Learning by Capturing Protein Sequence-Structure-Function Relationship
by: Ko, Eunji, et al.
Published: (2024)
by: Ko, Eunji, et al.
Published: (2024)
CreoPep: A Universal Deep Learning Framework for Target-Specific Peptide Design and Optimization
by: Ge, Cheng, et al.
Published: (2025)
by: Ge, Cheng, et al.
Published: (2025)
AdaMR: Adaptable Molecular Representation for Unified Pre-training Strategy
by: Ding, Yan, et al.
Published: (2023)
by: Ding, Yan, et al.
Published: (2023)
A Systematic Evaluation of Co-folding Model Representations for Small-Molecule Learning
by: Jang, Hyosoon, et al.
Published: (2026)
by: Jang, Hyosoon, et al.
Published: (2026)
RDesign: Hierarchical Data-efficient Representation Learning for Tertiary Structure-based RNA Design
by: Tan, Cheng, et al.
Published: (2023)
by: Tan, Cheng, et al.
Published: (2023)
SIU: A Million-Scale Structural Small Molecule-Protein Interaction Dataset for Unbiased Bioactivity Prediction
by: Huang, Yanwen, et al.
Published: (2024)
by: Huang, Yanwen, et al.
Published: (2024)
log-RRIM: Yield Prediction via Local-to-global Reaction Representation Learning and Interaction Modeling
by: Hu, Xiao, et al.
Published: (2024)
by: Hu, Xiao, et al.
Published: (2024)
HCAF-DTA: drug-target binding affinity prediction with cross-attention fused hypergraph neural networks
by: Li, Jiannuo, et al.
Published: (2025)
by: Li, Jiannuo, et al.
Published: (2025)
Exploring the Potential of Large Language Models in Graph Generation
by: Yao, Yang, et al.
Published: (2024)
by: Yao, Yang, et al.
Published: (2024)
DDIPrompt: Drug-Drug Interaction Event Prediction based on Graph Prompt Learning
by: Wang, Yingying, et al.
Published: (2024)
by: Wang, Yingying, et al.
Published: (2024)
S$^2$ALM: Sequence-Structure Pre-trained Large Language Model for Comprehensive Antibody Representation Learning
by: Yin, Mingze, et al.
Published: (2024)
by: Yin, Mingze, et al.
Published: (2024)
UniMatch: Universal Matching from Atom to Task for Few-Shot Drug Discovery
by: Li, Ruifeng, et al.
Published: (2025)
by: Li, Ruifeng, et al.
Published: (2025)
CBGBench: Fill in the Blank of Protein-Molecule Complex Binding Graph
by: Lin, Haitao, et al.
Published: (2024)
by: Lin, Haitao, et al.
Published: (2024)
UniSite: The First Cross-Structure Dataset and Learning Framework for End-to-End Ligand Binding Site Detection
by: Fan, Jigang, et al.
Published: (2025)
by: Fan, Jigang, et al.
Published: (2025)
From Supervision to Exploration: What Does Protein Language Model Learn During Reinforcement Learning?
by: Cao, Hanqun, et al.
Published: (2025)
by: Cao, Hanqun, et al.
Published: (2025)
From Theory to Therapy: Reframing SBDD Model Evaluation via Practical Metrics
by: Gao, Bowen, et al.
Published: (2024)
by: Gao, Bowen, et al.
Published: (2024)
PCEvo: Path-Consistent Molecular Representation via Virtual Evolutionary
by: Li, Kun, et al.
Published: (2026)
by: Li, Kun, et al.
Published: (2026)
Contrastive Multi-Task Learning with Solvent-Aware Augmentation for Drug Discovery
by: Lan, Jing, et al.
Published: (2025)
by: Lan, Jing, et al.
Published: (2025)
Hierarchical Structure Enhances the Convergence and Generalizability of Linear Molecular Representation
by: Wu, Juan-Ni, et al.
Published: (2024)
by: Wu, Juan-Ni, et al.
Published: (2024)
SMI-Editor: Edit-based SMILES Language Model with Fragment-level Supervision
by: Zheng, Kangjie, et al.
Published: (2024)
by: Zheng, Kangjie, et al.
Published: (2024)
ViDTA: Enhanced Drug-Target Affinity Prediction via Virtual Graph Nodes and Attention-based Feature Fusion
by: Li, Minghui, et al.
Published: (2024)
by: Li, Minghui, et al.
Published: (2024)
FoldToken: Learning Protein Language via Vector Quantization and Beyond
by: Gao, Zhangyang, et al.
Published: (2024)
by: Gao, Zhangyang, et al.
Published: (2024)
Will More Expressive Graph Neural Networks do Better on Generative Tasks?
by: Zou, Xiandong, et al.
Published: (2023)
by: Zou, Xiandong, et al.
Published: (2023)
Pre-Training Protein Bi-level Representation Through Span Mask Strategy On 3D Protein Chains
by: Zhao, Jiale, et al.
Published: (2024)
by: Zhao, Jiale, et al.
Published: (2024)
Advanced Deep Learning Methods for Protein Structure Prediction and Design
by: Zhang, Yichao, et al.
Published: (2025)
by: Zhang, Yichao, et al.
Published: (2025)
Protein Design with Dynamic Protein Vocabulary
by: Liu, Nuowei, et al.
Published: (2025)
by: Liu, Nuowei, et al.
Published: (2025)
M2oE: Multimodal Collaborative Expert Peptide Model
by: Guo, Zengzhu, et al.
Published: (2024)
by: Guo, Zengzhu, et al.
Published: (2024)
VN-EGNN: E(3)-Equivariant Graph Neural Networks with Virtual Nodes Enhance Protein Binding Site Identification
by: Sestak, Florian, et al.
Published: (2024)
by: Sestak, Florian, et al.
Published: (2024)
Similar Items
-
UniCorn: A Unified Contrastive Learning Approach for Multi-view Molecular Representation Learning
by: Feng, Shikun, et al.
Published: (2024) -
UniGEM: A Unified Approach to Generation and Property Prediction for Molecules
by: Feng, Shikun, et al.
Published: (2024) -
Contextual Molecule Representation Learning from Chemical Reaction Knowledge
by: Tang, Han, et al.
Published: (2024) -
t-SMILES: A Scalable Fragment-based Molecular Representation Framework for De Novo Molecule Generation
by: Wu, Juan-Ni, et al.
Published: (2023) -
PharmAgents: Building a Virtual Pharma with Large Language Model Agents
by: Gao, Bowen, et al.
Published: (2025)