Cover Image

Generative Model for Small Molecules with Latent Space RL Fine-Tuning to Protein Targets

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Sob, Ulrich A. Mbou, Li, Qiulin, Arbesú, Miguel, Bent, Oliver, Smit, Andries P., Pretorius, Arnu
Format:	Preprint
Published:	2024
Subjects:	Biomolecules Computation and Language Machine Learning
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

GeoGraph: Geometric and Graph-based Ensemble Descriptors for Intrinsically Disordered Proteins
by: Quinn, Eoin, et al.
Published: (2025)

Structure-Enhanced Protein Instruction Tuning: Towards General-Purpose Protein Understanding with LLMs
by: Wu, Wei, et al.
Published: (2024)

Improving Targeted Molecule Generation through Language Model Fine-Tuning Via Reinforcement Learning
by: Ahmed, Salma J., et al.
Published: (2024)

Lift Your Molecules: Molecular Graph Generation in Latent Euclidean Space
by: Ketata, Mohamed Amine, et al.
Published: (2024)

End-to-End Reverse Screening Identifies Protein Targets of Small Molecules Using HelixFold3
by: Xu, Shengjie, et al.
Published: (2026)

DiffBP: Generative Diffusion of 3D Molecules for Target Protein Binding
by: Lin, Haitao, et al.
Published: (2022)

Latent-X: An Atom-level Frontier Model for De Novo Protein Binder Design
by: Latent Labs Team, et al.
Published: (2025)

MoleculeQA: A Dataset to Evaluate Factual Accuracy in Molecular Comprehension
by: Lu, Xingyu, et al.
Published: (2024)

How Creative Are Large Language Models in Generating Molecules?
by: Tao, Wen, et al.
Published: (2026)

Prot42: a Novel Family of Protein Language Models for Target-aware Protein Binder Generation
by: Sayeed, Mohammad Amaan, et al.
Published: (2025)

Leveraging Latent Evolutionary Optimization for Targeted Molecule Generation
by: N, Siddartha Reddy, et al.
Published: (2024)

SGNet: Folding Symmetrical Protein Complex with Deep Learning
by: Li, Zhaoqun, et al.
Published: (2024)

Bridging Text and Molecule: A Survey on Multimodal Frameworks for Molecule
by: Xiao, Yi, et al.
Published: (2024)

DrugLLM: Open Large Language Model for Few-shot Molecule Generation
by: Liu, Xianggen, et al.
Published: (2024)

DrugImproverGPT: A Large Language Model for Drug Optimization with Fine-Tuning via Structured Policy Optimization
by: Liu, Xuefeng, et al.
Published: (2025)

FREED++: Improving RL Agents for Fragment-Based Molecule Generation by Thorough Reproduction
by: Telepov, Alexander, et al.
Published: (2024)

Latent Chemical Space Searching for Plug-in Multi-objective Molecule Generation
by: Liu, Ningfeng, et al.
Published: (2024)

3M-Diffusion: Latent Multi-Modal Diffusion for Language-Guided Molecular Structure Generation
by: Zhu, Huaisheng, et al.
Published: (2024)

SIU: A Million-Scale Structural Small Molecule-Protein Interaction Dataset for Unbiased Bioactivity Prediction
by: Huang, Yanwen, et al.
Published: (2024)

Cell Morphology-Guided Small Molecule Generation with GFlowNets
by: Lu, Stephen Zhewen, et al.
Published: (2024)

BadGraph: A Backdoor Attack Against Latent Diffusion Model for Text-Guided Graph Generation
by: Ye, Liang, et al.
Published: (2025)

Molecule Design by Latent Prompt Transformer
by: Kong, Deqian, et al.
Published: (2023)

Molecule Design by Latent Prompt Transformer
by: Kong, Deqian, et al.
Published: (2024)

Beyond Ensembles: Simulating All-Atom Protein Dynamics in a Learned Latent Space
by: Sengar, Aditya, et al.
Published: (2025)

Extracting Protein-Protein Interactions (PPIs) from Biomedical Literature using Attention-based Relational Context Information
by: Park, Gilchan, et al.
Published: (2024)

Model-based reinforcement learning for protein backbone design
by: Renard, Frederic, et al.
Published: (2024)

Diffusion Sequence Models for Enhanced Protein Representation and Generation
by: Hallee, Logan, et al.
Published: (2025)

Protein FID: Improved Evaluation of Protein Structure Generative Models
by: Faltings, Felix, et al.
Published: (2025)

Simple, Efficient and Scalable Structure-aware Adapter Boosts Protein Language Models
by: Tan, Yang, et al.
Published: (2024)

Energy Efficient Protein Language Models: Leveraging Small Language Models with LoRA for Controllable Protein Generation
by: Shah, Aayush, et al.
Published: (2024)

Torsion-Space Diffusion for Protein Backbone Generation with Geometric Refinement
by: Singh, Lakshaditya, et al.
Published: (2025)

Generative Modeling of Full-Atom Protein Conformations using Latent Diffusion on Graph Embeddings
by: Sengar, Aditya, et al.
Published: (2025)

FlowMol3: Flow Matching for 3D De Novo Small-Molecule Generation
by: Dunn, Ian, et al.
Published: (2025)

Immunogenicity Prediction with Dual Attention Enables Vaccine Target Selection
by: Li, Song, et al.
Published: (2024)

Unraveling the Potential of Diffusion Models in Small Molecule Generation
by: Zhang, Peining, et al.
Published: (2025)

The Role of Model Architecture and Scale in Predicting Molecular Properties: Insights from Fine-Tuning RoBERTa, BART, and LLaMA
by: Youngmin, Lee, et al.
Published: (2024)

Drug-like antibodies with low immunogenicity in human panels designed with Latent-X2
by: Latent Labs Team, et al.
Published: (2025)

BoKDiff: Best-of-K Diffusion Alignment for Target-Specific 3D Molecule Generation
by: Yalabadi, Ali Khodabandeh, et al.
Published: (2025)

TAGMol: Target-Aware Gradient-guided Molecule Generation
by: Dorna, Vineeth, et al.
Published: (2024)

Multi-Objective Latent Space Optimization of Generative Molecular Design Models
by: Abeer, A N M Nafiz, et al.
Published: (2022)