UniGEM: A Unified Approach to Generation and Property Prediction for Molecules
Fuente:
arXiv
Saved in:
| Main Authors: | Feng, Shikun, Ni, Yuyan, Lu, Yan, Ma, Zhi-Ming, Ma, Wei-Ying, Lan, Yanyan |
|---|---|
| Format: | Preprint |
| Published: |
2024
|
| 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)
UniMAP: Universal SMILES-Graph Representation Learning
by: Feng, Shikun, et al.
Published: (2023)
by: Feng, Shikun, et al.
Published: (2023)
Contextual Molecule Representation Learning from Chemical Reaction Knowledge
by: Tang, Han, et al.
Published: (2024)
by: Tang, Han, et al.
Published: (2024)
PharmAgents: Building a Virtual Pharma with Large Language Model Agents
by: Gao, Bowen, et al.
Published: (2025)
by: Gao, Bowen, et al.
Published: (2025)
Empower Structure-Based Molecule Optimization with Gradient Guided Bayesian Flow Networks
by: Qiu, Keyue, et al.
Published: (2024)
by: Qiu, Keyue, et al.
Published: (2024)
Unified Generative Modeling of 3D Molecules via Bayesian Flow Networks
by: Song, Yuxuan, et al.
Published: (2024)
by: Song, Yuxuan, et al.
Published: (2024)
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)
Conditioned Generative Modeling of Molecular Glues: A Realistic AI Approach for Synthesizable Drug-like Molecules
by: Islam, Naeyma N., et al.
Published: (2026)
by: Islam, Naeyma N., et al.
Published: (2026)
Multi-level Interaction Modeling for Protein Mutational Effect Prediction
by: Mo, Yuanle, et al.
Published: (2024)
by: Mo, Yuanle, et al.
Published: (2024)
Demystifying Multimodal Biomolecular Co-design With Intrinsic Geodesic Coupling
by: Qiu, Keyue, et al.
Published: (2026)
by: Qiu, Keyue, et al.
Published: (2026)
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)
The Dance of Atoms-De Novo Protein Design with Diffusion Model
by: Qin, Yujie, et al.
Published: (2025)
by: Qin, Yujie, et al.
Published: (2025)
Diffusion Models at the Drug Discovery Frontier: A Review on Generating Small Molecules versus Therapeutic Peptides
by: Wang, Yiquan, et al.
Published: (2025)
by: Wang, Yiquan, 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)
by: Wu, Juan-Ni, et al.
Published: (2023)
Beyond Efficiency: Molecular Data Pruning for Enhanced Generalization
by: Chen, Dingshuo, et al.
Published: (2024)
by: Chen, Dingshuo, et al.
Published: (2024)
A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining
by: Liu, Shengchao, et al.
Published: (2023)
by: Liu, Shengchao, et al.
Published: (2023)
Repurformer: Transformers for Repurposing-Aware Molecule Generation
by: Lee, Changhun, et al.
Published: (2024)
by: Lee, Changhun, et al.
Published: (2024)
AdaMR: Adaptable Molecular Representation for Unified Pre-training Strategy
by: Ding, Yan, et al.
Published: (2023)
by: Ding, Yan, et al.
Published: (2023)
AmpLyze: A Deep Learning Model for Predicting the Hemolytic Concentration
by: Qiu, Peng, et al.
Published: (2025)
by: Qiu, Peng, et al.
Published: (2025)
MolTextNet: A Two-Million Molecule-Text Dataset for Multimodal Molecular Learning
by: Zhu, Yihan, et al.
Published: (2025)
by: Zhu, Yihan, et al.
Published: (2025)
Unraveling the Potential of Diffusion Models in Small Molecule Generation
by: Zhang, Peining, et al.
Published: (2025)
by: Zhang, Peining, et al.
Published: (2025)
Open-Source Molecular Processing Pipeline for Generating Molecules
by: Shreyas, V, et al.
Published: (2024)
by: Shreyas, V, et al.
Published: (2024)
TAGMol: Target-Aware Gradient-guided Molecule Generation
by: Dorna, Vineeth, et al.
Published: (2024)
by: Dorna, Vineeth, et al.
Published: (2024)
Pre-training with Fractional Denoising to Enhance Molecular Property Prediction
by: Ni, Yuyan, et al.
Published: (2024)
by: Ni, Yuyan, et al.
Published: (2024)
End-to-End Reverse Screening Identifies Protein Targets of Small Molecules Using HelixFold3
by: Xu, Shengjie, et al.
Published: (2026)
by: Xu, Shengjie, et al.
Published: (2026)
Deciphering the unique dynamic activation pathway in a G protein-coupled receptor enables unveiling biased signaling and identifying cryptic allosteric sites in conformational intermediates
by: Fan, Jigang, et al.
Published: (2025)
by: Fan, Jigang, et al.
Published: (2025)
Geometric-Facilitated Denoising Diffusion Model for 3D Molecule Generation
by: Xu, Can, et al.
Published: (2024)
by: Xu, Can, et al.
Published: (2024)
AMix-1: A Pathway to Test-Time Scalable Protein Foundation Model
by: Lv, Changze, et al.
Published: (2025)
by: Lv, Changze, et al.
Published: (2025)
UniMoMo: Unified Generative Modeling of 3D Molecules for De Novo Binder Design
by: Kong, Xiangzhe, et al.
Published: (2025)
by: Kong, Xiangzhe, et al.
Published: (2025)
Auxiliary Discrminator Sequence Generative Adversarial Networks (ADSeqGAN) for Few Sample Molecule Generation
by: Tang, Haocheng, et al.
Published: (2025)
by: Tang, Haocheng, et al.
Published: (2025)
MolCap-Arena: A Comprehensive Captioning Benchmark on Language-Enhanced Molecular Property Prediction
by: Edwards, Carl, et al.
Published: (2024)
by: Edwards, Carl, et al.
Published: (2024)
From Words to Molecules: A Survey of Large Language Models in Chemistry
by: Liao, Chang, et al.
Published: (2024)
by: Liao, Chang, 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)
by: Tang, Xiangru, et al.
Published: (2024)
ProtTeX: Structure-In-Context Reasoning and Editing of Proteins with Large Language Models
by: Ma, Zicheng, et al.
Published: (2025)
by: Ma, Zicheng, et al.
Published: (2025)
Bridging Quantum and Classical Computing in Drug Design: Architecture Principles for Improved Molecule Generation
by: Smith, Andrew, et al.
Published: (2025)
by: Smith, Andrew, et al.
Published: (2025)
AMix-2: Establishing Protein as a Native Modality in Large Language Models
by: Qiu, Keyue, et al.
Published: (2026)
by: Qiu, Keyue, et al.
Published: (2026)
General Protein Pretraining or Domain-Specific Designs? Benchmarking Protein Modeling on Realistic Applications
by: Yan, Shuo, et al.
Published: (2025)
by: Yan, Shuo, et al.
Published: (2025)
Deciphering Scientific Reasoning Steps from Outcome Data for Molecule Optimization
by: Liu, Zequn, et al.
Published: (2026)
by: Liu, Zequn, et al.
Published: (2026)
Phenotypic Profile-Informed Generation of Drug-Like Molecules via Dual-Channel Variational Autoencoders
by: Liu, Hui, et al.
Published: (2025)
by: Liu, Hui, et al.
Published: (2025)
Pesti-Gen: Unleashing a Generative Molecule Approach for Toxicity Aware Pesticide Design
by: Kim, Taehan, et al.
Published: (2025)
by: Kim, Taehan, et al.
Published: (2025)
Similar Items
-
UniCorn: A Unified Contrastive Learning Approach for Multi-view Molecular Representation Learning
by: Feng, Shikun, et al.
Published: (2024) -
UniMAP: Universal SMILES-Graph Representation Learning
by: Feng, Shikun, et al.
Published: (2023) -
Contextual Molecule Representation Learning from Chemical Reaction Knowledge
by: Tang, Han, et al.
Published: (2024) -
PharmAgents: Building a Virtual Pharma with Large Language Model Agents
by: Gao, Bowen, et al.
Published: (2025) -
Empower Structure-Based Molecule Optimization with Gradient Guided Bayesian Flow Networks
by: Qiu, Keyue, et al.
Published: (2024)