A Comprehensive Benchmark for RNA 3D Structure-Function Modeling

Fuente: arXiv
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Autori principali: Wyss, Luis, Mallet, Vincent, Karroucha, Wissam, Borgwardt, Karsten, Oliver, Carlos
Natura: Preprint
Pubblicazione: 2025
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author Wyss, Luis
Mallet, Vincent
Karroucha, Wissam
Borgwardt, Karsten
Oliver, Carlos
author_facet Wyss, Luis
Mallet, Vincent
Karroucha, Wissam
Borgwardt, Karsten
Oliver, Carlos
contents The relationship between RNA structure and function has recently attracted interest within the deep learning community, a trend expected to intensify as nucleic acid structure models advance. Despite this momentum, the lack of standardized, accessible benchmarks for applying deep learning to RNA 3D structures hinders progress. To this end, we introduce a collection of seven benchmarking datasets specifically designed to support RNA structure-function prediction. Built on top of the established Python package rnaglib, our library streamlines data distribution and encoding, provides tools for dataset splitting and evaluation, and offers a comprehensive, user-friendly environment for model comparison. The modular and reproducible design of our datasets encourages community contributions and enables rapid customization. To demonstrate the utility of our benchmarks, we report baseline results for all tasks using a relational graph neural network.
format Preprint
id arxiv_https___arxiv_org_abs_2503_21681
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle A Comprehensive Benchmark for RNA 3D Structure-Function Modeling
Wyss, Luis
Mallet, Vincent
Karroucha, Wissam
Borgwardt, Karsten
Oliver, Carlos
Biomolecules
Machine Learning
The relationship between RNA structure and function has recently attracted interest within the deep learning community, a trend expected to intensify as nucleic acid structure models advance. Despite this momentum, the lack of standardized, accessible benchmarks for applying deep learning to RNA 3D structures hinders progress. To this end, we introduce a collection of seven benchmarking datasets specifically designed to support RNA structure-function prediction. Built on top of the established Python package rnaglib, our library streamlines data distribution and encoding, provides tools for dataset splitting and evaluation, and offers a comprehensive, user-friendly environment for model comparison. The modular and reproducible design of our datasets encourages community contributions and enables rapid customization. To demonstrate the utility of our benchmarks, we report baseline results for all tasks using a relational graph neural network.
title A Comprehensive Benchmark for RNA 3D Structure-Function Modeling
topic Biomolecules
Machine Learning
url https://arxiv.org/abs/2503.21681