Pretraining a Foundation Model for Small-Molecule Natural Products
Fuente:
arXiv
Guardado en:
| Autores principales: | Ding, Yuheng, Qiang, Bo, Li, Shaoning, Zhou, Yiran, Yu, Jie, Li, Qi, Shi, Cheng, Zhang, Liangren, Wang, Yusong, Zheng, Nanning, Liu, Zhenming |
|---|---|
| Formato: | Preprint |
| Publicado: |
2025
|
| Materias: | |
| Acceso en línea: | |
| Etiquetas: |
Agregar Etiqueta
Sin Etiquetas, Sea el primero en etiquetar este registro!
|
Ejemplares similares
F$^3$low: Frame-to-Frame Coarse-grained Molecular Dynamics with SE(3) Guided Flow Matching
por: Li, Shaoning, et al.
Publicado: (2024)
por: Li, Shaoning, et al.
Publicado: (2024)
Improving AlphaFlow for Efficient Protein Ensembles Generation
por: Li, Shaoning, et al.
Publicado: (2024)
por: Li, Shaoning, et al.
Publicado: (2024)
ReactXT: Understanding Molecular "Reaction-ship" via Reaction-Contextualized Molecule-Text Pretraining
por: Liu, Zhiyuan, et al.
Publicado: (2024)
por: Liu, Zhiyuan, et al.
Publicado: (2024)
GenoHoption: Bridging Gene Network Graphs and Single-Cell Foundation Models
por: Cheng, Jiabei, et al.
Publicado: (2024)
por: Cheng, Jiabei, et al.
Publicado: (2024)
In Silico Functional Profiling of Engineered Small Molecules: A Machine Learning Approach Leveraging PubChem Identifiers (CID_SID ML model)
por: Ivanova, Mariya L., et al.
Publicado: (2025)
por: Ivanova, Mariya L., et al.
Publicado: (2025)
Bridging the Gap between Chemical Reaction Pretraining and Conditional Molecule Generation with a Unified Model
por: Qiang, Bo, et al.
Publicado: (2023)
por: Qiang, Bo, et al.
Publicado: (2023)
Uncertainty-Guided Model Selection for Tabular Foundation Models in Biomolecule Efficacy Prediction
por: Li, Jie, et al.
Publicado: (2025)
por: Li, Jie, et al.
Publicado: (2025)
Drug discovery guided by maximum drug likeness
por: Zhu, Hao-Yu, et al.
Publicado: (2025)
por: Zhu, Hao-Yu, et al.
Publicado: (2025)
YH-MINER: Multimodal Intelligent System for Natural Ecological Reef Metric Extraction
por: Wang, Mingzhuang, et al.
Publicado: (2025)
por: Wang, Mingzhuang, et al.
Publicado: (2025)
UniIF: Unified Molecule Inverse Folding
por: Gao, Zhangyang, et al.
Publicado: (2024)
por: Gao, Zhangyang, et al.
Publicado: (2024)
Zero-Shot Learning with Subsequence Reordering Pretraining for Compound-Protein Interaction
por: Zhang, Hongzhi, et al.
Publicado: (2025)
por: Zhang, Hongzhi, et al.
Publicado: (2025)
DiffFit: Visually-Guided Differentiable Fitting of Molecule Structures to a Cryo-EM Map
por: Luo, Deng, et al.
Publicado: (2024)
por: Luo, Deng, et al.
Publicado: (2024)
A Graph Completion Method that Jointly Predicts Geometry and Topology Enables Effective Molecule Assembly
por: Koodli, Rohan V., et al.
Publicado: (2025)
por: Koodli, Rohan V., et al.
Publicado: (2025)
Small Molecule Optimization with Large Language Models
por: Guevorguian, Philipp, et al.
Publicado: (2024)
por: Guevorguian, Philipp, et al.
Publicado: (2024)
Enhancing Antimicrobial Molecule Prediction via Dynamic Routing Capsule Networks and Multi-Source Molecular Embeddings
por: He, R.
Publicado: (2025)
por: He, R.
Publicado: (2025)
Fixed-budget simulation method for growing cell populations
por: Chen, Shaoqing, et al.
Publicado: (2025)
por: Chen, Shaoqing, et al.
Publicado: (2025)
Learning collective multi-cellular dynamics from temporal scRNA-seq via a transformer-enhanced Neural SDE
por: Jiang, Qi, et al.
Publicado: (2025)
por: Jiang, Qi, et al.
Publicado: (2025)
ViroBench: Benchmarking Nucleotide Foundation Models on Viral Genomics Tasks
por: Ye, Dongxin, et al.
Publicado: (2026)
por: Ye, Dongxin, et al.
Publicado: (2026)
Test-time Adaptation for Foundation Medical Segmentation Model without Parametric Updates
por: Chen, Kecheng, et al.
Publicado: (2025)
por: Chen, Kecheng, et al.
Publicado: (2025)
Atomas: Hierarchical Alignment on Molecule-Text for Unified Molecule Understanding and Generation
por: Zhang, Yikun, et al.
Publicado: (2024)
por: Zhang, Yikun, et al.
Publicado: (2024)
A Large Sensor Foundation Model Pretrained on Continuous Glucose Monitor Data for Diabetes Management
por: Luo, Junjie, et al.
Publicado: (2024)
por: Luo, Junjie, et al.
Publicado: (2024)
ProtSolM: Protein Solubility Prediction with Multi-modal Features
por: Tan, Yang, et al.
Publicado: (2024)
por: Tan, Yang, et al.
Publicado: (2024)
Implementation of an AI-based MRD evaluation and prediction model for multiple myeloma
por: Chen, Jianfeng, et al.
Publicado: (2024)
por: Chen, Jianfeng, et al.
Publicado: (2024)
Seq2Bind Webserver for Decoding Binding Hotspots directly from Sequences using Fine-Tuned Protein Language Models
por: Ma, Xiang, et al.
Publicado: (2025)
por: Ma, Xiang, et al.
Publicado: (2025)
MolReFlect: Towards In-Context Fine-grained Alignments between Molecules and Texts
por: Li, Jiatong, et al.
Publicado: (2024)
por: Li, Jiatong, et al.
Publicado: (2024)
Scalable Non-Equivariant 3D Molecule Generation via Rotational Alignment
por: Ding, Yuhui, et al.
Publicado: (2025)
por: Ding, Yuhui, et al.
Publicado: (2025)
PlayMolecule pKAce: Small Molecule Protonation through Equivariant Neural Networks
por: Schapin, Nikolai, et al.
Publicado: (2024)
por: Schapin, Nikolai, et al.
Publicado: (2024)
A Multimodal Foundation Model of Spatial Transcriptomics and Histology for Biological Discovery and Clinical Prediction
por: Xiang, Jinxi, et al.
Publicado: (2026)
por: Xiang, Jinxi, et al.
Publicado: (2026)
Nature's Brewery to Bedtime: The Role of Hops in GABAA Receptor Modulation and Sleep Promotion
por: Benkherouf, Ali Y.
Publicado: (2024)
por: Benkherouf, Ali Y.
Publicado: (2024)
Data-Efficient Sleep Staging with Synthetic Time Series Pretraining
por: Grieger, Niklas, et al.
Publicado: (2024)
por: Grieger, Niklas, et al.
Publicado: (2024)
Bioptic B1: A Target-Agnostic Potency-Based Small Molecules Search Engine
por: Vinogradov, Vlad, et al.
Publicado: (2024)
por: Vinogradov, Vlad, et al.
Publicado: (2024)
Antibody Consumption-Driven Dynamic Competition: A Systems Hypothesis for the Transition from Acute Immune Response to Post-Infection Sequelae
por: Qiru, Shi
Publicado: (2025)
por: Qiru, Shi
Publicado: (2025)
To Remember, To Adapt, To Preempt: A Stable Continual Test-Time Adaptation Framework for Remote Physiological Measurement in Dynamic Domain Shifts
por: Chu, Shuyang, et al.
Publicado: (2025)
por: Chu, Shuyang, et al.
Publicado: (2025)
Automated Model-Free Sorting of Single-Molecule Fluorescence Events Using a Deep Learning Based Hidden-State Model
por: Zeng, Wenqi, et al.
Publicado: (2025)
por: Zeng, Wenqi, et al.
Publicado: (2025)
Explainable Machine Learning and Deep Learning Models for Predicting TAS2R-Bitter Molecule Interactions
por: Ferri, Francesco, et al.
Publicado: (2024)
por: Ferri, Francesco, et al.
Publicado: (2024)
Apo2Mol: 3D Molecule Generation via Dynamic Pocket-Aware Diffusion Models
por: Zheng, Xinzhe, et al.
Publicado: (2025)
por: Zheng, Xinzhe, et al.
Publicado: (2025)
M$^{3}$-20M: A Large-Scale Multi-Modal Molecule Dataset for AI-driven Drug Design and Discovery
por: Guo, Siyuan, et al.
Publicado: (2024)
por: Guo, Siyuan, et al.
Publicado: (2024)
Align Your Structures: Generating Trajectories with Structure Pretraining for Molecular Dynamics
por: Iyengar, Aniketh, et al.
Publicado: (2026)
por: Iyengar, Aniketh, et al.
Publicado: (2026)
NExT-Mol: 3D Diffusion Meets 1D Language Modeling for 3D Molecule Generation
por: Liu, Zhiyuan, et al.
Publicado: (2025)
por: Liu, Zhiyuan, et al.
Publicado: (2025)
Assessing Validity of ICD-10 Administrative Data in Coding Comorbidities
por: Pan, Jie, et al.
Publicado: (2025)
por: Pan, Jie, et al.
Publicado: (2025)
Ejemplares similares
-
F$^3$low: Frame-to-Frame Coarse-grained Molecular Dynamics with SE(3) Guided Flow Matching
por: Li, Shaoning, et al.
Publicado: (2024) -
Improving AlphaFlow for Efficient Protein Ensembles Generation
por: Li, Shaoning, et al.
Publicado: (2024) -
ReactXT: Understanding Molecular "Reaction-ship" via Reaction-Contextualized Molecule-Text Pretraining
por: Liu, Zhiyuan, et al.
Publicado: (2024) -
GenoHoption: Bridging Gene Network Graphs and Single-Cell Foundation Models
por: Cheng, Jiabei, et al.
Publicado: (2024) -
In Silico Functional Profiling of Engineered Small Molecules: A Machine Learning Approach Leveraging PubChem Identifiers (CID_SID ML model)
por: Ivanova, Mariya L., et al.
Publicado: (2025)