Motivation The accessibility and usability of high-performance computing (HPC) resources remain significant challenges in bioinformatics, particularly for researchers lacking extensive technical expertise. While Distributed Resource Managers (DRMs) optimize resource utilization, the complexities of interfacing with these systems often hinder broader adoption. DRMAAtic addresses these challenges by integrating the Distributed Resource Management Application API (DRMAA) with a user-friendly RESTful interface, simplifying job management across diverse HPC environments. This framework empowers researchers to submit, monitor, and retrieve computational jobs securely and efficiently, without requiring deep knowledge of underlying cluster configurations. Results We present DRMAAtic, a flexible and scalable tool that bridges the gap between web interfaces and HPC infrastructures. Built on the Django REST Framework, DRMAAtic supports seamless job submission and management via HTTP calls. Its modular architecture enables integration with any DRM supporting DRMAA APIs and offers robust features such as role-based access control, throttling mechanisms, and dependency management. Successful applications of DRMAAtic include the RING web server for protein structure analysis, the CAID Prediction Portal for disorder and binding predictions, and the Protein Ensemble Database deposition server. These deployments demonstrate DRMAAtic's potential to enhance computational workflows, improve resource efficiency, and facilitate open science in life sciences.

DRMAAtic: dramatically improve your cluster potential

Del Conte, Alessio;Ghafouri, Hamidreza;Clementel, Damiano;Mičetić, Ivan;Piovesan, Damiano;Tosatto, Silvio C E
;
Monzon, Alexander Miguel
2025

Abstract

Motivation The accessibility and usability of high-performance computing (HPC) resources remain significant challenges in bioinformatics, particularly for researchers lacking extensive technical expertise. While Distributed Resource Managers (DRMs) optimize resource utilization, the complexities of interfacing with these systems often hinder broader adoption. DRMAAtic addresses these challenges by integrating the Distributed Resource Management Application API (DRMAA) with a user-friendly RESTful interface, simplifying job management across diverse HPC environments. This framework empowers researchers to submit, monitor, and retrieve computational jobs securely and efficiently, without requiring deep knowledge of underlying cluster configurations. Results We present DRMAAtic, a flexible and scalable tool that bridges the gap between web interfaces and HPC infrastructures. Built on the Django REST Framework, DRMAAtic supports seamless job submission and management via HTTP calls. Its modular architecture enables integration with any DRM supporting DRMAA APIs and offers robust features such as role-based access control, throttling mechanisms, and dependency management. Successful applications of DRMAAtic include the RING web server for protein structure analysis, the CAID Prediction Portal for disorder and binding predictions, and the Protein Ensemble Database deposition server. These deployments demonstrate DRMAAtic's potential to enhance computational workflows, improve resource efficiency, and facilitate open science in life sciences.
2025
   Machine Learning for Non-globular Proteins
   ML4NGP
   COST Association
   CA21160

   ELIXIRxNextGenIT
   ELIXIRxNextGenIT
   European Union
   NextGenerationEU
   IR0000010

   National Center for Gene Therapy and Drugs based on RNA Technology
   European Union
   European Union
   NextGenerationEU
   CN00000041

   Proximity Ligation And Nanopore Sequencing for the characterization of native RNA-protein interactions
   PLANS
   Ministero dell'Università e della Ricerca
   PRIN 2022
   2022W93FTW

   Bringing Intrinsically Disordered Proteins to Biomedical Applications
   IDP2Biomed
   European Commission
   Horizon Europe Framework Programme - HORIZON Coordination and Support Actions
   101160233

   Integrating novel data, artificial intelligence and molecular behaviour to expand functional characterization of intrinsically disordered proteins
   IDPfun2
   European Commission
   Horizon Europe Framework Programme - HORIZON TMA MSCA Staff Exchanges
   101182949
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11577/3560053
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