Related papers: JMS: A workflow management system and web-based cl…
Developing complex biomolecular workflows is not always straightforward. It requires tedious developments to enable the interoperability between the different biomolecular simulation and analysis tools. Moreover, the need to execute the…
Next-generation projects in High Energy Physics will reach again a new dimension of complexity. Information management has to ensure an efficient and economic information flow within the collaborations, offering world-wide up-to-date…
The Minnesota Supercomputing Institute has implemented Jupyterhub and the Jupyter notebook server as a general-purpose point-of-entry to interactive high performance computing services. This mode of operation runs counter to traditional…
This paper discusses the deployment of existing render farm manager in a typical compute cluster environment such as a university. Usually, both a render farm and a compute cluster use different queue managers and assume total control over…
The availability of Infrastructure-as-a-Service (IaaS) computing clouds gives researchers access to a large set of new resources for running complex scientific applications. However, exploiting cloud resources for large numbers of jobs…
The Joint Automated Repository for Various Integrated Simulations (JARVIS) is an integrated infrastructure to accelerate materials discovery and design using density functional theory (DFT), classical force-fields (FF), and machine learning…
Continuous Integration and Continuous Deployment (CI/CD) pipelines are central to modern software development. In large organizations, the high volume of builds and tests creates bottlenecks, especially under shared infrastructure. This…
The collection of time series data increases as more monitoring and automation are being deployed. These deployments range in scale from an Internet of things (IoT) device located in a household to enormous distributed Cyber-Physical…
We present here a cost effective framework for a robust scalable and distributed job processing system that adapts to the dynamic computing needs easily with efficient load balancing for heterogeneous systems. The design is such that each…
In this thesis first we propose an intermediate data management scheme for a SWfMS. In our second attempt, we explored the possibilities and introduced an automatic recommendation technique for a SWfMS from real-world workflow data (i.e…
Machine Learning Operations (MLOps) has become increasingly critical as more organisations move ML models into production. However, the growing landscape of MLOps solutions has introduced complexity for practitioners trying to select…
Scientific workflow has become essential in software engineering because it provides a structured approach to designing, executing, and analyzing scientific experiments. Software developers and researchers have developed hundreds of…
YAMLE: Yet Another Machine Learning Environment is an open-source framework that facilitates rapid prototyping and experimentation with machine learning (ML) models and methods. The key motivation is to reduce repetitive work when…
Recent years have witnessed a rapid growth of distributed machine learning (ML) frameworks, which exploit the massive parallelism of computing clusters to expedite ML training. However, the proliferation of distributed ML frameworks also…
Cloud-native is an approach to building and running scalable applications in modern cloud infrastructures, with the Kubernetes container orchestration platform being often considered as a fundamental cloud-native building block. In this…
Compendium Manager is a command-line tool written in Python to automate the provisioning, launch, and evaluation of bioinformatics pipelines. Although workflow management tools such as Snakemake and Nextflow enable users to automate the…
"Science gateway" (SG) ideology means a user-friendly intuitive interface between scientists (or scientific communities) and different software components + various distributed computing infrastructures (DCIs) (like grids, clouds,…
IoT devices trigger real-time applications by receiving data from their vicinity. Modeling these applications in the form of workflows enables automating their procedure, especially for the business and industry. Depending on the features…
An end-to-end platform for chemical science research has been developed that integrates data from computational and experimental approaches through a modern web-based interface. The platform offers a highly interactive visualization and…
The JASMIN super-data-cluster is being deployed to support the data analysis requirements of the UK and European climate and earth system modelling community. Physical colocation of the core JASMIN resource with significant components of…