Collaborative Expert LLMs Guided Multi-Objective Molecular Optimization
Fuente:
arXiv
Saved in:
| Main Authors: | Yu, Jiajun, Zheng, Yizhen, Koh, Huan Yee, Pan, Shirui, Wang, Tianyue, Wang, Haishuai |
|---|---|
| Format: | Preprint |
| Published: |
2025
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
ModuLM: Enabling Modular and Multimodal Molecular Relational Learning with Large Language Models
by: Chen, Zhuo, et al.
Published: (2025)
by: Chen, Zhuo, et al.
Published: (2025)
Molecular Generative Adversarial Network with Multi-Property Optimization
by: Tang, Huidong, et al.
Published: (2024)
by: Tang, Huidong, et al.
Published: (2024)
M2oE: Multimodal Collaborative Expert Peptide Model
by: Guo, Zengzhu, et al.
Published: (2024)
by: Guo, Zengzhu, 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)
$\text{M}^{2}$LLM: Multi-view Molecular Representation Learning with Large Language Models
by: Ju, Jiaxin, et al.
Published: (2025)
by: Ju, Jiaxin, et al.
Published: (2025)
Conditional Latent Space Molecular Scaffold Optimization for Accelerated Molecular Design
by: Boyar, Onur, et al.
Published: (2024)
by: Boyar, Onur, et al.
Published: (2024)
RosettaSearch: Multi-Objective Inference-Time Search for Protein Sequence Design
by: Kshirsagar, Meghana, et al.
Published: (2026)
by: Kshirsagar, Meghana, et al.
Published: (2026)
Beyond Efficiency: Molecular Data Pruning for Enhanced Generalization
by: Chen, Dingshuo, et al.
Published: (2024)
by: Chen, Dingshuo, et al.
Published: (2024)
InstructMol: Multi-Modal Integration for Building a Versatile and Reliable Molecular Assistant in Drug Discovery
by: Cao, He, et al.
Published: (2023)
by: Cao, He, et al.
Published: (2023)
Mitigating Exposure Bias in Score-Based Generation of Molecular Conformations
by: Wang, Sijia, et al.
Published: (2024)
by: Wang, Sijia, et al.
Published: (2024)
Monte Carlo Tree Diffusion with Multiple Experts for Protein Design
by: Liu, Xuefeng, et al.
Published: (2025)
by: Liu, Xuefeng, et al.
Published: (2025)
Fragment-Masked Diffusion for Molecular Optimization
by: Li, Kun, et al.
Published: (2024)
by: Li, Kun, et al.
Published: (2024)
A Generalist Cross-Domain Molecular Learning Framework for Structure-Based Drug Discovery
by: Zhu, Yiheng, et al.
Published: (2025)
by: Zhu, Yiheng, et al.
Published: (2025)
SEISMO: Increasing Sample Efficiency in Molecular Optimization with a Trajectory-Aware LLM Agent
by: Krüger, Fabian P., et al.
Published: (2026)
by: Krüger, Fabian P., et al.
Published: (2026)
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)
KnowMol: Advancing Molecular Large Language Models with Multi-Level Chemical Knowledge
by: Yang, Zaifei, et al.
Published: (2025)
by: Yang, Zaifei, et al.
Published: (2025)
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)
ProtCLIP: Function-Informed Protein Multi-Modal Learning
by: Zhou, Hanjing, et al.
Published: (2024)
by: Zhou, Hanjing, et al.
Published: (2024)
MODA: A Unified 3D Diffusion Framework for Multi-Task Target-Aware Molecular Generation
by: Xu, Dong, et al.
Published: (2025)
by: Xu, Dong, et al.
Published: (2025)
Active Learning-Guided Seq2Seq Variational Autoencoder for Multi-target Inhibitor Generation
by: Vilalta-Mor, Júlia, et al.
Published: (2025)
by: Vilalta-Mor, Júlia, et al.
Published: (2025)
FragmentGPT: A Unified GPT Model for Fragment Growing, Linking, and Merging in Molecular Design
by: Liu, Xuefeng, et al.
Published: (2025)
by: Liu, Xuefeng, et al.
Published: (2025)
Mol-AIR: Molecular Reinforcement Learning with Adaptive Intrinsic Rewards for Goal-directed Molecular Generation
by: Park, Jinyeong, et al.
Published: (2024)
by: Park, Jinyeong, et al.
Published: (2024)
Geometric-Facilitated Denoising Diffusion Model for 3D Molecule Generation
by: Xu, Can, et al.
Published: (2024)
by: Xu, Can, et al.
Published: (2024)
TaxDiff: Taxonomic-Guided Diffusion Model for Protein Sequence Generation
by: Zongying, Lin, et al.
Published: (2024)
by: Zongying, Lin, 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)
Protein as a Second Language for LLMs
by: Chen, Xinhui, et al.
Published: (2025)
by: Chen, Xinhui, et al.
Published: (2025)
TourSynbio: A Multi-Modal Large Model and Agent Framework to Bridge Text and Protein Sequences for Protein Engineering
by: Shen, Yiqing, et al.
Published: (2024)
by: Shen, Yiqing, et al.
Published: (2024)
A Vectorization Method Induced By Maximal Margin Classification For Persistent Diagrams
by: Wu, An, et al.
Published: (2024)
by: Wu, An, et al.
Published: (2024)
Sampling-based Continuous Optimization with Coupled Variables for RNA Design
by: Tang, Wei Yu, et al.
Published: (2024)
by: Tang, Wei Yu, et al.
Published: (2024)
Open-Source Molecular Processing Pipeline for Generating Molecules
by: Shreyas, V, et al.
Published: (2024)
by: Shreyas, V, et al.
Published: (2024)
Bolek: A Multimodal Language Model for Molecular Reasoning
by: Grabowski, Frederic, et al.
Published: (2026)
by: Grabowski, Frederic, et al.
Published: (2026)
Messenger RNA Design via Expected Partition Function and Continuous Optimization
by: Dai, Ning, et al.
Published: (2023)
by: Dai, Ning, et al.
Published: (2023)
Multi-Objective Latent Space Optimization of Generative Molecular Design Models
by: Abeer, A N M Nafiz, et al.
Published: (2022)
by: Abeer, A N M Nafiz, et al.
Published: (2022)
Rethinking Diffusion Models with Symmetries through Canonicalization with Applications to Molecular Graph Generation
by: Zhou, Cai, et al.
Published: (2026)
by: Zhou, Cai, et al.
Published: (2026)
MultiModal-Learning for Predicting Molecular Properties: A Framework Based on Image and Graph Structures
by: Wang, Zhuoyuan, et al.
Published: (2023)
by: Wang, Zhuoyuan, et al.
Published: (2023)
Atom-anchored LLMs speak Chemistry: A Retrosynthesis Demonstration
by: Hassen, Alan Kai, et al.
Published: (2025)
by: Hassen, Alan Kai, et al.
Published: (2025)
Scalable and Cost-Efficient de Novo Template-Based Molecular Generation
by: Gaiński, Piotr, et al.
Published: (2025)
by: Gaiński, Piotr, 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)
Addressing Model Overcomplexity in Drug-Drug Interaction Prediction With Molecular Fingerprints
by: Gil-Sorribes, Manel, et al.
Published: (2025)
by: Gil-Sorribes, Manel, et al.
Published: (2025)
STAR-VAE: Latent Variable Transformers for Scalable and Controllable Molecular Generation
by: Kwon, Bum Chul, et al.
Published: (2025)
by: Kwon, Bum Chul, et al.
Published: (2025)
Similar Items
-
ModuLM: Enabling Modular and Multimodal Molecular Relational Learning with Large Language Models
by: Chen, Zhuo, et al.
Published: (2025) -
Molecular Generative Adversarial Network with Multi-Property Optimization
by: Tang, Huidong, et al.
Published: (2024) -
M2oE: Multimodal Collaborative Expert Peptide Model
by: Guo, Zengzhu, et al.
Published: (2024) -
PCEvo: Path-Consistent Molecular Representation via Virtual Evolutionary
by: Li, Kun, et al.
Published: (2026) -
$\text{M}^{2}$LLM: Multi-view Molecular Representation Learning with Large Language Models
by: Ju, Jiaxin, et al.
Published: (2025)