Related papers: Uploading User-Defined Functions onto the AMIDAS W…
Nowadays, many scientific areas share the same need of being able to deal with massive and distributed datasets and to perform on them complex knowledge extraction tasks. This simple consideration is behind the international efforts to…
This article provides an introduction to and review of the field of computer-aided molecular design (CAMD). It is intended to be approachable for the absolute beginner as well as useful to the seasoned CAMD practitioner. We begin by…
Ordinary differential equation models facilitate the understanding of cellular signal transduction and other biological processes. However, for large and comprehensive models, the computational cost of simulating or calibrating can be…
WebAssembly (abbreviated as Wasm) was initially introduced for the Web but quickly extended its reach into various domains beyond the Web. To create Wasm applications, developers can compile high-level programming languages into Wasm…
Agentic AI applications increasingly rely on multiple agents with distinct roles, specialized tools, and access to memory layers to solve complex tasks -- closely resembling service-oriented architectures. Yet, in the rapid evolving…
Scientific software is often driven by multiple parameters that affect both accuracy and performance. Since finding the optimal configuration of these parameters is a highly complex task, it extremely common that the software is used…
Astronomical radio maps are presented mainly in FITS format. Astronomical Image Processing Software (AIPS) uses a set of tables attached to the output map to include all sorts of information concerning the production of the image. However…
This article reports prototype web apps that use commodity, open-source technologies for augmented and virtual reality to provide immersive, interactive human-computer interfaces for chemistry, structural biology and related disciplines.…
The annotation of image and video data of large datasets is a fundamental task in multimedia information retrieval and computer vision applications. In order to support the users during the image and video annotation process, several…
Access to molecular and atomic data is critical for many forms of remote sensing analysis across different fields. Many atomic and molecular databases are however highly specialized for their intended application, complicating querying and…
Density functional theory (DFT) is an essential building block for modern theoretical physics, chemistry, and engineering, especially those concerning electronic properties. Through decades of development, various program packages for…
This extended abstract reports on previous work of the CamFort project in which we developed an external units-of-measure type system for Fortran code, targeted at scientists. Our approach can guide the programmer in adding specifications…
A cloud-hosted web-based software application, nmfMapping, for carrying out a nonnegative matrix factorization of a set of powder diffraction or atomic pair distribution function datasets is described. This app allows structure scientists…
We present a user-friendly, but powerful interface for the data mining of scientific repositories. We present the tool in use with actual astronomy data and show how it may be used to achieve many different types of powerful semantic…
Modern software development requires developers to find and effectively utilize new APIs and their documentation, but documentation has many well-known issues. Despite this, developers eventually overcome these issues but have no way of…
Log files contain information about User Name, IP Address, Time Stamp, Access Request, number of Bytes Transferred, Result Status, URL that Referred and User Agent. The log files are maintained by the web servers. By analysing these log…
Many business web-based applications do not offer applications programming interfaces (APIs) to enable other applications to access their data and functions in a programmatic manner. This makes their composition difficult (for instance to…
There have been multiple methods proposed to calculate lift coefficients in microfluidic channels. One of the most used methods is using Direct Numerical Simulation. DNS is a very accurate yet computationally expensive method. DNS…
FLAME is a software package to perform a wide range of atomistic simulations for exploring the potential energy surfaces (PES) of complex condensed matter systems. The range of methods include molecular dynamics simulations to sample free…
Automatic image annotation is one of the most challenging problems in machine vision areas. The goal of this task is to predict number of keywords automatically for images captured in real data. Many methods are based on visual features in…