Related papers: OpenMS WebApps: Building User-Friendly Solutions f…

In this paper, we present BIMS (Biomedical Information Management System). BIMS is a software architecture designed to provide a flexible computational framework to manage the information needs of a wide range of biomedical research…

CHEMSMART (Chemistry Simulation and Modeling Automation Toolkit) is an open-source, Python-based framework designed to streamline quantum chemistry workflows for homogeneous catalysis and molecular modeling. By integrating job preparation,…

As large language models (LLMs) are deployed widely, detecting and understanding bias in their outputs is critical. We present LLM BiasScope, a web application for side-by-side comparison of LLM outputs with real-time bias analysis. The…

This paper aims to determine how the LMS Web portal application reshapes the learner experience through the developed E-Learning Management System using Data Mining Algorithm. The methodology that the researchers used is descriptive…

Integrating open data sources can yield high value information but raises major problems in terms of metadata extraction, data source integration and visualization of integrated data. In this paper, we describe WebSmatch, a flexible…

The development of synthesis procedures remains a fundamental challenge in materials discovery, with procedural knowledge scattered across decades of scientific literature in unstructured formats that are challenging for systematic…

The availability and easy access of large scale experimental and computational materials data have enabled the emergence of accelerated development of algorithms and models for materials property prediction, structure prediction, and…

Liquid chromatography mass spectrometry (LC-MS)-based metabolomics and exposomics aim to measure detectable small molecules in biological samples. The results facilitate hypothesis-generating discovery of metabolic changes and disease…

In recent years, the field of artificial intelligence has undergone a paradigm shift from task-specific small-scale models to general-purpose large language models (LLMs). With the rapid iteration of LLMs, objective, quantitative, and…

Large Language Models (LLMs) are distinguished by their architecture, which dictates their parameter size and performance capabilities. Social scientists have increasingly adopted LLMs for text classification tasks, which are difficult to…

Bioinformatics web servers are critical resources in modern biomedical research, facilitating interactive exploration of datasets through custom-built interfaces with rich visualization capabilities. However, this human-centric design…

This paper aims to create a transition path from file-based IO to streaming-based workflows for scientific applications in an HPC environment. By using the openPMP-api, traditional workflows limited by filesystem bottlenecks can be overcome…

PolyMAPS is an open-source library that helps researchers to initialize LAMMPS molecular dynamics simulations. It introduces an integrated workflow by combining preparation, launching, visualization, and analysis into a single Jupyter…

Proxy-apps, or mini-apps, are simple self-contained benchmark codes with performance-relevant kernels extracted from real applications. Initially used to facilitate software-hardware co-design, they are a crucial ingredient for serious…

Spectroscopy is a central pillar of materials characterization, providing useful information on properties like structure, composition, or excited state dynamics of a system. However, many spectroscopic techniques present challenges in…

Introduction. Treatment planning systems (TPS) are an essential component for simulating and optimizing a radiation therapy treatment before administering it to the patient. It ensures that the tumor is well covered and the dose to the…

While LLMs enable a range of AI applications, interacting with multiple models and customizing workflows can be challenging, and existing LLM interfaces offer limited support for collaborative extension or real-world evaluation. In this…

Large Language Models (LLMs) increasingly serve as consumers of API specifications, whether for code generation, autonomous agent interaction, or API-assisted reasoning. The de facto standard for API description, OpenAPI, was designed for…

LLMs have become increasingly capable at accomplishing a range of specialized-tasks and can be utilized to expand equitable access to medical knowledge. Most medical LLMs have involved extensive fine-tuning, leveraging specialized medical…

This guide introduces Large Language Models (LLM) as a highly versatile text analysis method within the social sciences. As LLMs are easy-to-use, cheap, fast, and applicable on a broad range of text analysis tasks, ranging from text…