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Summary: VTX is a molecular visualization software capable to handle most molecular structures and dynamics trajectories file formats. It features a real-time high-performance molecular graphics engine, based on modern OpenGL, optimized for…

We describe a system for visualization and editing of data in a computational chemistry environment. The system is a collaborative tool allowing researchers using virtual reality and/or desktop computer displays to work together on results…

Graphics · Computer Science 2023-10-04 Dave Pape , Amin Ghadersohi , Josephine Anstey , Amit Makwana

This article describes a data center hosting a web portal for accessing and sharing the output of large, cosmological, hydro-dynamical simulations with a broad scientific community. It also allows users to receive related scientific data…

Instrumentation and Methods for Astrophysics · Physics 2018-10-22 Antonio Ragagnin , Klaus Dolag , Veronica Biffi , Marionne Cadolle Bel , Nicolay J. Hammer , Aliaksei Krukau , Margarita Petkova , Daniel Steinborn

The web has become a ubiquitous application development platform for mobile systems. Yet, web access on mobile devices remains an energy-hungry activity. Prior work in the field mainly focuses on the initial page loading stage, but fails to…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-08-07 Lu Yuan , Jie Ren , Ling Gao , Zhanyong Tang , Zheng Wang

Virtual Observatories (VOs) are online hubs of scientific knowledge. They encompass a collection of platforms dedicated to the storage and dissemination of astronomical data, from simple data archives to e-research platforms offering…

Instrumentation and Methods for Astrophysics · Physics 2018-04-25 Tim Dykes , Amr Hassan , Claudio Gheller , Darren Croton , Mel Krokos

Interactive computational environments can help students explore algorithmic concepts through collaborative hands-on experimentation. However, static and instructor controlled demos in lectures limit engagement. Even when interactive…

Human-Computer Interaction · Computer Science 2026-02-02 Sumedh Karajagi , Sampad Bhusan Mohanty , Bhaskar Krishnamachari

Accurate molecular property prediction (MPP) is a critical step in modern drug development. However, the scarcity of experimental validation data poses a significant challenge to AI-driven research paradigms. Under few-shot learning…

Machine Learning · Computer Science 2025-05-20 Yifan Dai , Xuanbai Ren , Tengfei Ma , Qipeng Yan , Yiping Liu , Yuansheng Liu , Xiangxiang Zeng

We present ChromoSkein, a web-based tool for visualizing three-dimensional chromatin models. The spatial organization of chromatin is essential to its function. Experimental methods, namely Hi-C, reveal the spatial conformation but output a…

Human-Computer Interaction · Computer Science 2022-11-11 Matúš Talčík , Filip Opálený , Tereza Clarence , Katarína Furmanová , Jan Byška , Barbora Kozlíková , David Kouřil

Multimodality can make (especially mobile) device interaction more efficient. Sensors and communication capabilities of modern smartphones and tablets lay the technical basis for its implementation. Still, mobile platforms do not make…

Human-Computer Interaction · Computer Science 2014-06-13 Andreas Möller , Stefan Diewald , Luis Roalter , Matthias Kranz

While there exists a significant number of web interactives for introductory physics, students are almost never shown the computer code that generates these interactives even when the physics parts of these programs are relatively simple.…

Physics Education · Physics 2017-07-04 Chris Orban , Chris D. Porter , Nash K. Brecht , Richelle M. Teeling-Smith , Kathy A. Harper

Various web-based image-editing tools and web-based collaborative tools exist in isolation. Research focusing to bridge the gap between these two domains is sparse. We respond to the above and develop prototype groupware for real-time…

Graphics · Computer Science 2021-07-23 Ulrike Bath , Sumit Shekhar , Jürgen Döllner , Matthias Trapp

COPASI is a popular application for simulation and analysis of biochemical networks and their dynamics. While this software is widely used, it works as a standalone application and until now it was not possible for users to interact with…

Molecular Networks · Quantitative Biology 2021-10-11 Abhishekh Gupta , Pedro Mendes

We introduce Blocks, a mobile application that enables people to co-create AR structures that persist in the physical environment. Using Blocks, end users can collaborate synchronously or asynchronously, whether they are colocated or…

Human-Computer Interaction · Computer Science 2019-08-15 Anhong Guo , Ilter Canberk , Hannah Murphy , Andrés Monroy-Hernández , Rajan Vaish

The integration of deep learning, particularly AI-Generated Content, with high-quality data derived from ab initio calculations has emerged as a promising avenue for transforming the landscape of scientific research. However, the challenge…

Machine Learning · Computer Science 2024-12-11 Kaiwei Zhang , Yange Lin , Guangcheng Wu , Yuxiang Ren , Xuecang Zhang , Bo wang , Xiaoyu Zhang , Weitao Du

Graph data have become increasingly common. Visualizing them helps people better understand relations among entities. Unfortunately, existing graph visualization tools are primarily designed for single-person desktop use, offering limited…

Human-Computer Interaction · Computer Science 2020-08-28 Siwei Li , Zhiyan Zhou , Anish Upadhayay , Omar Shaikh , Scott Freitas , Haekyu Park , Zijie J. Wang , Susanta Routray , Matthew Hull , Duen Horng Chau

We suggest a new web-based approach for browsing and visualizing data produced by a network of telescopes, such as those of the ongoing TAOS and the forthcoming TAOS II projects. We propose a modern client-side technology and we present two…

Instrumentation and Methods for Astrophysics · Physics 2014-08-28 D. Ricci , P. -G. Sprimont , C. Ayala , F. G. Ramón-Fox , R. Michel , S. Navarro , S. -Y. Wang , Z. -W. Zhang , M. J. Lehner , L. Nicastro , M. Reyes-Ruiz

The Constrained Application Protocol (CoAP) is an HTTP-like protocol for RESTful applications intended to run on constrained devices, typically part of the Internet of Things. CoAP observe is an extension to the CoAP specification that…

Networking and Internet Architecture · Computer Science 2017-07-20 Hasan M A Islam , Dmitrij Lagutin , Nikos Fotiou

Live programming provides feedback on run-time behavior by visualizing concrete values of expressions close to the source code. When using such a local perspective on run-time behavior, programmers have to mentally reconstruct the control…

Programming Languages · Computer Science 2024-03-06 Patrick Rein , Christian Flach , Stefan Ramson , Eva Krebs , Robert Hirschfeld

Program visualizations help to form useful mental models of how programs work, and to reason and debug code. But these visualizations exist at a fixed level of abstraction, e.g., line-by-line. In contrast, programmers switch between many…

Human-Computer Interaction · Computer Science 2023-06-14 Devamardeep Hayatpur , Haijun Xia , Daniel Wigdor

Harnessing modern parallel computing resources to achieve complex multi-physics simulations is a daunting task. The Multiphysics Object Oriented Simulation Environment (MOOSE) aims to enable such development by providing simplified…