Leveraging Large Language Models for enzymatic reaction prediction and characterization
Fuente:
arXiv
Enregistré dans:
| Auteurs principaux: | Di Fruscia, Lorenzo, Weber, Jana Marie |
|---|---|
| Format: | Preprint |
| Publié: |
2025
|
| Sujets: | |
| Accès en ligne: | |
| Tags: |
Ajouter un tag
Pas de tags, Soyez le premier à ajouter un tag!
|
Documents similaires
Reinforcement Learning for Sequence Design Leveraging Protein Language Models
par: Subramanian, Jithendaraa, et autres
Publié: (2024)
par: Subramanian, Jithendaraa, et autres
Publié: (2024)
Exploring the Potential of Large Language Models in Graph Generation
par: Yao, Yang, et autres
Publié: (2024)
par: Yao, Yang, et autres
Publié: (2024)
Biology-Instructions: A Dataset and Benchmark for Multi-Omics Sequence Understanding Capability of Large Language Models
par: He, Haonan, et autres
Publié: (2024)
par: He, Haonan, et autres
Publié: (2024)
Comprehensive benchmarking of large language models for RNA secondary structure prediction
par: Zablocki, L. I., et autres
Publié: (2024)
par: Zablocki, L. I., et autres
Publié: (2024)
KnowMol: Advancing Molecular Large Language Models with Multi-Level Chemical Knowledge
par: Yang, Zaifei, et autres
Publié: (2025)
par: Yang, Zaifei, et autres
Publié: (2025)
S$^2$ALM: Sequence-Structure Pre-trained Large Language Model for Comprehensive Antibody Representation Learning
par: Yin, Mingze, et autres
Publié: (2024)
par: Yin, Mingze, et autres
Publié: (2024)
Heterogeneous networks in drug-target interaction prediction
par: Molaee, Mohammad, et autres
Publié: (2025)
par: Molaee, Mohammad, et autres
Publié: (2025)
Optimal message passing for molecular prediction is simple, attentive and spatial
par: Castaneda-Leautaud, Alma C., et autres
Publié: (2025)
par: Castaneda-Leautaud, Alma C., et autres
Publié: (2025)
PROflow: An iterative refinement model for PROTAC-induced structure prediction
par: Qiang, Bo, et autres
Publié: (2024)
par: Qiang, Bo, et autres
Publié: (2024)
Bolek: A Multimodal Language Model for Molecular Reasoning
par: Grabowski, Frederic, et autres
Publié: (2026)
par: Grabowski, Frederic, et autres
Publié: (2026)
Scoreformer: A Surrogate Model For Large-Scale Prediction of Docking Scores
par: Ciudad, Álvaro, et autres
Publié: (2024)
par: Ciudad, Álvaro, et autres
Publié: (2024)
Multi-view biomedical foundation models for molecule-target and property prediction
par: Suryanarayanan, Parthasarathy, et autres
Publié: (2024)
par: Suryanarayanan, Parthasarathy, et autres
Publié: (2024)
On Recovering Higher-order Interactions from Protein Language Models
par: Tsui, Darin, et autres
Publié: (2024)
par: Tsui, Darin, et autres
Publié: (2024)
A Foundation Chemical Language Model for Comprehensive Fragment-Based Drug Discovery
par: Ho, Alexander, et autres
Publié: (2025)
par: Ho, Alexander, et autres
Publié: (2025)
COMET: Benchmark for Comprehensive Biological Multi-omics Evaluation Tasks and Language Models
par: Ren, Yuchen, et autres
Publié: (2024)
par: Ren, Yuchen, et autres
Publié: (2024)
Structural Interpretations of Protein Language Model Representations via Differentiable Graph Partitioning
par: Dutta, Siddhant, et autres
Publié: (2026)
par: Dutta, Siddhant, et autres
Publié: (2026)
Zero-shot protein stability prediction by inverse folding models: a free energy interpretation
par: Frellsen, Jes, et autres
Publié: (2025)
par: Frellsen, Jes, et autres
Publié: (2025)
HCAF-DTA: drug-target binding affinity prediction with cross-attention fused hypergraph neural networks
par: Li, Jiannuo, et autres
Publié: (2025)
par: Li, Jiannuo, et autres
Publié: (2025)
Can Large Language Models Understand Molecules?
par: Sadeghi, Shaghayegh, et autres
Publié: (2024)
par: Sadeghi, Shaghayegh, et autres
Publié: (2024)
Unifying Sequences, Structures, and Descriptions for Any-to-Any Protein Generation with the Large Multimodal Model HelixProtX
par: Chen, Zhiyuan, et autres
Publié: (2024)
par: Chen, Zhiyuan, et autres
Publié: (2024)
From Supervision to Exploration: What Does Protein Language Model Learn During Reinforcement Learning?
par: Cao, Hanqun, et autres
Publié: (2025)
par: Cao, Hanqun, et autres
Publié: (2025)
TourSynbio: A Multi-Modal Large Model and Agent Framework to Bridge Text and Protein Sequences for Protein Engineering
par: Shen, Yiqing, et autres
Publié: (2024)
par: Shen, Yiqing, et autres
Publié: (2024)
ProtFlow: Fast Protein Sequence Design via Flow Matching on Compressed Protein Language Model Embeddings
par: Kong, Zitai, et autres
Publié: (2025)
par: Kong, Zitai, et autres
Publié: (2025)
Protein as a Second Language for LLMs
par: Chen, Xinhui, et autres
Publié: (2025)
par: Chen, Xinhui, et autres
Publié: (2025)
From Words to Molecules: A Survey of Large Language Models in Chemistry
par: Liao, Chang, et autres
Publié: (2024)
par: Liao, Chang, et autres
Publié: (2024)
Large Language Models for Controllable Multi-property Multi-objective Molecule Optimization
par: Dey, Vishal, et autres
Publié: (2025)
par: Dey, Vishal, et autres
Publié: (2025)
DrugPlayGround: Benchmarking Large Language Models and Embeddings for Drug Discovery
par: Liu, Tianyu, et autres
Publié: (2026)
par: Liu, Tianyu, et autres
Publié: (2026)
DualEquiNet: A Dual-Space Hierarchical Equivariant Network for Large Biomolecules
par: Xu, Junjie, et autres
Publié: (2025)
par: Xu, Junjie, et autres
Publié: (2025)
Automatic Annotation Augmentation Boosts Translation between Molecules and Natural Language
par: Zhong, Zhiqiang, et autres
Publié: (2025)
par: Zhong, Zhiqiang, et autres
Publié: (2025)
FoldToken: Learning Protein Language via Vector Quantization and Beyond
par: Gao, Zhangyang, et autres
Publié: (2024)
par: Gao, Zhangyang, et autres
Publié: (2024)
ModuLM: Enabling Modular and Multimodal Molecular Relational Learning with Large Language Models
par: Chen, Zhuo, et autres
Publié: (2025)
par: Chen, Zhuo, et autres
Publié: (2025)
BioLM-Score: Language-Prior Conditioned Probabilistic Geometric Potentials for Protein-Ligand Scoring
par: Yang, Zhangfan, et autres
Publié: (2026)
par: Yang, Zhangfan, et autres
Publié: (2026)
PFMBench: Protein Foundation Model Benchmark
par: Gao, Zhangyang, et autres
Publié: (2025)
par: Gao, Zhangyang, et autres
Publié: (2025)
RosettaSearch: Multi-Objective Inference-Time Search for Protein Sequence Design
par: Kshirsagar, Meghana, et autres
Publié: (2026)
par: Kshirsagar, Meghana, et autres
Publié: (2026)
FGBench: A Dataset and Benchmark for Molecular Property Reasoning at Functional Group-Level in Large Language Models
par: Liu, Xuan, et autres
Publié: (2025)
par: Liu, Xuan, et autres
Publié: (2025)
Unraveling the Potential of Diffusion Models in Small Molecule Generation
par: Zhang, Peining, et autres
Publié: (2025)
par: Zhang, Peining, et autres
Publié: (2025)
TurboHopp: Accelerated Molecule Scaffold Hopping with Consistency Models
par: Yoo, Kiwoong, et autres
Publié: (2024)
par: Yoo, Kiwoong, et autres
Publié: (2024)
Multi-level Interaction Modeling for Protein Mutational Effect Prediction
par: Mo, Yuanle, et autres
Publié: (2024)
par: Mo, Yuanle, et autres
Publié: (2024)
Drug Release Modeling using Physics-Informed Neural Networks
par: Qureshi, Daanish Aleem, et autres
Publié: (2026)
par: Qureshi, Daanish Aleem, et autres
Publié: (2026)
TwinBooster: Synergising Large Language Models with Barlow Twins and Gradient Boosting for Enhanced Molecular Property Prediction
par: Schuh, Maximilian G., et autres
Publié: (2024)
par: Schuh, Maximilian G., et autres
Publié: (2024)
Documents similaires
-
Reinforcement Learning for Sequence Design Leveraging Protein Language Models
par: Subramanian, Jithendaraa, et autres
Publié: (2024) -
Exploring the Potential of Large Language Models in Graph Generation
par: Yao, Yang, et autres
Publié: (2024) -
Biology-Instructions: A Dataset and Benchmark for Multi-Omics Sequence Understanding Capability of Large Language Models
par: He, Haonan, et autres
Publié: (2024) -
Comprehensive benchmarking of large language models for RNA secondary structure prediction
par: Zablocki, L. I., et autres
Publié: (2024) -
KnowMol: Advancing Molecular Large Language Models with Multi-Level Chemical Knowledge
par: Yang, Zaifei, et autres
Publié: (2025)