KubeFold: Kubernetes-native automation of AlphaFold protein structure prediction workflows

KubeFold is a Kubernetes-native software platform for automating AlphaFold-based protein structure prediction workflows in cloud and cluster environments. The system introduces a declarative model for managing reference databases and prediction jobs through custom Kubernetes resources. It automates database preparation, workflow orchestration, storage integration, and artifact handling, reducing the operational complexity of large-scale prediction workloads. KubeFold is intended for universities, public research institutions, bioinformatics centers, and non-profit scientific infrastructures that require scalable and reproducible execution of protein structure prediction pipelines under non-commercial use conditions.

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Publication Details

Journal
SoftwareX
Published
2026-07-02
DOI
https://doi.org/10.1016/j.softx.2026.102805
Primary Topic
Scientific Computing and Data Management
Type
article
Field-Weighted Citation Impact
0.00
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article

KubeFold: Kubernetes-native automation of AlphaFold protein structure prediction workflows

Paweł Skrzyński, Mateusz Wozniak
SoftwareX
Scientific Computing and Data Management
article

KubeFold: Kubernetes-native automation of AlphaFold protein structure prediction workflows

Paweł Skrzyński, Mateusz Wozniak
article en

Abstract

KubeFold is a Kubernetes-native software platform for automating AlphaFold-based protein structure prediction workflows in cloud and cluster environments. The system introduces a declarative model for managing reference databases and prediction jobs through custom Kubernetes resources. It automates database preparation, workflow orchestration, storage integration, and artifact handling, reducing the operational complexity of large-scale prediction workloads. KubeFold is intended for universities, public research institutions, bioinformatics centers, and non-profit scientific infrastructures that require scalable and reproducible execution of protein structure prediction pipelines under non-commercial use conditions.

SoftwareXVol. 35
Jagiellonian University (PL), AGH University of Krakow (PL)
Industry, innovation and infrastructure
Openalex Percentile: Top 4%
Scientific Computing and Data Management
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