Related papers: Kliko - The Scientific Compute Container Format
Basilisk is an open-source astrodynamics simulation framework widely used for spacecraft guidance, navigation, and control (GN&C) research and development. Despite its flexibility and computational capabilities, configuring Basilisk…
The goal of this paper is to deliver the overview of the current state of the art, to provide experience report on developing quantum software tools, and to outline the perspective for developing quantum programming tools supporting…
We describe preliminary investigations of using Docker for the deployment and testing of astronomy software. Docker is a relatively new containerisation technology that is developing rapidly and being adopted across a range of domains. It…
Task-based programming models have proven to be a robust and versatile way to approach development of applications for distributed environments. They provide natural programming patterns with high performance. However, execution on this…
Containers as the unit of application delivery are the 'next big thing' in the software development world. They enable developers to create an executable image containing an application bundled with all its dependencies which a user can run…
We describe 'staq', a full-stack quantum processing toolkit written in standard C++. 'staq' is a quantum compiler toolkit, comprising of tools that range from quantum optimizers and translators to physical mappers for quantum devices with…
The HPC community is actively researching and evaluating tools to support execution of scientific applications in cloud-based environments. Among the various technologies, containers have recently gained importance as they have…
Containers are increasingly used as means to distribute and run Linux services and applications. In this paper we describe the architectural design and implementation of udocker, a tool which enables the user to execute Linux containers in…
Similar to managing software packages, managing the ontology life cycle involves multiple complex workflows such as preparing releases, continuous quality control checking, and dependency management. To manage these processes, a diverse set…
We introduce COCO, an open source platform for Comparing Continuous Optimizers in a black-box setting. COCO aims at automatizing the tedious and repetitive task of benchmarking numerical optimization algorithms to the greatest possible…
Data structures that realize a dictionary are characterized by three basic instructions: (1) Insert (a new entry <key,value>). (2) Search by a key, returning the associated value. (3) Delete an entry. Known realizations are hashing schemes…
Runko is a new open-source plasma simulation framework implemented in C++ and Python. It is designed to function as an easy-to-extend general toolbox for simulating astrophysical plasmas with different theoretical and numerical models.…
One-sided communication is a useful paradigm for irregular parallel applications, but most one-sided programming environments, including MPI's one-sided interface and PGAS programming languages, lack application level libraries to support…
The Open Knowledgebase of Interatomic Models (OpenKIM) project is a framework intended to facilitate access to standardized implementations of interatomic models for molecular simulations along with computational protocols to evaluate them.…
In this paper, we present Ginkgo, a modern C++ math library for scientific high performance computing. While classical linear algebra libraries act on matrix and vector objects, Ginkgo's design principle abstracts all functionality as…
pyscreener is a Python library that seeks to alleviate the challenges of large-scale structure-based design using computational docking. It provides a simple and uniform interface that is agnostic to the backend docking engine with which to…
Scientific advancement relies on the ability to share and reproduce results. When data analysis or calculations are carried out using software written by scientists there are special challenges around code versions, quality and code…
The reproducibility of software environments is a critical concern in modern software engineering, with ramifications ranging from the effectiveness of collaboration workflows to software supply chain security and scientific…
R packages are the fundamental units of reproducible code in R, providing a mechanism for distributing user-developed code, documentation, and data. Docker is a virtualization technology that allows applications and their dependencies to be…
Fast and high quality document clustering is an important task in organizing information, search engine results obtaining from user query, enhancing web crawling and information retrieval. With the large amount of data available and with a…