scholarly journals The MolSSI QCArchive Project: An Open-Source Platform to Compute, Organize, and Share Quantum Chemistry Data

2020 ◽  
Author(s):  
Daniel Smith ◽  
Doaa Altarawy ◽  
Lori Burns ◽  
Matthew Welborn ◽  
Levi N. Naden ◽  
...  
Keyword(s):  
Quantum Chemistry ◽  
Open Source ◽  
Web Applications ◽  
Software Infrastructure ◽  
Or Groups ◽  
Community Data ◽  
User Friendly ◽  
And Storage ◽  
Compute Structure ◽  
Quantum Chemical Data

<div>The Molecular Sciences Software Institute's (MolSSI) Quantum Chemistry Archive (QCArchive) project is an umbrella name that covers both a central server hosted by MolSSI for community data and the Python-based software infrastructure that powers automated computation and storage of quantum chemistry results.</div><div>The MolSSI-hosted central server provides the computational molecular sciences community a location to freely access tens of millions of quantum chemistry computations for machine learning, methodology assessment, force-field fitting, and more through a Python interface.</div><div>Facile, user-friendly mining of the centrally archived quantum chemical data also can be achieved through web applications found at https://qcarchive.molssi.org.</div><div>The software infrastructure can be used as a standalone platform to compute, structure, and distribute hundreds of millions of quantum chemistry computations for individuals or groups of researchers at any scale.</div><div>The QCArchive Infrastructure is open-source (BSD-3C), code repositories can be found at https://github.com/MolSSI, and releases can be downloaded via PyPI and Conda.</div>

scholarly journals The MolSSI QCArchive Project: An Open-Source Platform to Compute, Organize, and Share Quantum Chemistry Data

2020 ◽  
Author(s):  
Daniel Smith ◽  
Doaa Altarawy ◽  
Lori Burns ◽  
Matthew Welborn ◽  
Levi N. Naden ◽  
...  
Keyword(s):  
Quantum Chemistry ◽  
Open Source ◽  
Web Applications ◽  
Software Infrastructure ◽  
Or Groups ◽  
Community Data ◽  
User Friendly ◽  
And Storage ◽  
Compute Structure ◽  
Quantum Chemical Data

<div>The Molecular Sciences Software Institute's (MolSSI) Quantum Chemistry Archive (QCArchive) project is an umbrella name that covers both a central server hosted by MolSSI for community data and the Python-based software infrastructure that powers automated computation and storage of quantum chemistry results.</div><div>The MolSSI-hosted central server provides the computational molecular sciences community a location to freely access tens of millions of quantum chemistry computations for machine learning, methodology assessment, force-field fitting, and more through a Python interface.</div><div>Facile, user-friendly mining of the centrally archived quantum chemical data also can be achieved through web applications found at https://qcarchive.molssi.org.</div><div>The software infrastructure can be used as a standalone platform to compute, structure, and distribute hundreds of millions of quantum chemistry computations for individuals or groups of researchers at any scale.</div><div>The QCArchive Infrastructure is open-source (BSD-3C), code repositories can be found at https://github.com/MolSSI, and releases can be downloaded via PyPI and Conda.</div>

Performance Comparison of Web Backend And Database: A Case Study Of Node.JS, Golang and MySQL, MongoDB

2019 ◽  
Vol 13 ◽  
Author(s):  
Faried Effendy ◽  
Taufik ◽  
Bramantyo Adhilaksono
Keyword(s):  
Response Time ◽  
Open Source ◽  
Poisson Distribution ◽  
Mobile Application ◽  
Web Applications ◽  
Performance Comparison ◽  
Memory Usage ◽  
Data Traffic ◽  
Cpu Utilization

: Substantial research has been conducted to compare web servers or to compare databases, but very limited research combines the two. Node.js and Golang (Go) are popular platforms for both web and mobile application back-ends, whereas MySQL and Go are among the best open source databases with different characters. Using MySQL and MongoDB as databases, this study aims to compare the performance of Go and Node.js as web applications back-end regarding response time, CPU utilization, and memory usage. To simulate the actual web server workload, the flow of data traffic on the server follows the Poisson distribution. The result shows that the combination of Go and MySQL is superior in CPU utilization and memory usage, while the Node.js and MySQL combination is superior in response time.

MackDroid - An Android based Application to monitor devices

2016 ◽  
Vol 9 ◽  
pp. 1
Author(s):  
Maaz Sirkhot ◽  
Ekta Sirwani ◽  
Aishwarya Kourani ◽  
Akshit Batheja ◽  
Kajal Jethanand Jewani
Keyword(s):  
Operating System ◽  
Open Source ◽  
Vital Role ◽  
Mobile Users ◽  
Android Application ◽  
Web Page ◽  
Technological World ◽  
Monitoring Service ◽  
User Friendly

In this technological world, smartphones can be considered as one of the most far-reaching inventions. It plays a vital role in connecting people socially. The number of mobile users using an Android based smartphone has increased rapidly since last few years resulting in organizations, cyber cell departments, government authorities feeling the need to monitor the activities on certain targeted devices in order to maintain proper functionality of their respective jobs. Also with the advent of smartphones, Android became one of the most popular and widely used Operating System. Its highlighting features are that it is user friendly, smartly designed, flexible, highly customizable and supports latest technologies like IoT. One of the features that makes it exclusive is that it is based on Linux and is Open Source for all the developers. This is the reason why our project Mackdroid is an Android based application that collects data from the remote device, stores it and displays on a PHP based web page. It is primarily a monitoring service that analyzes the contents and distributes it in various categories like Call Logs, Chats, Key logs, etc. Our project aims at developing an Android application that can be used to track, monitor, store and grab data from the device and store it on a server which can be accessed by the handler of the application.

scholarly journals Open-source multi-year power generation, consumption, and storage data in a microgrid

2021 ◽  
Vol 13 (2) ◽  
pp. 025301
Author(s):  
Sushil Silwal ◽  
Colton Mullican ◽  
Yi-An Chen ◽  
Avik Ghosh ◽  
John Dilliott ◽  
...  
Keyword(s):  
Power Generation ◽  
Open Source ◽  
And Storage

scholarly journals An Interactive WebGIS Framework for Coastal Erosion Risk Management

2021 ◽  
Vol 9 (6) ◽  
pp. 567
Author(s):  
Alessandra Capolupo ◽  
Cristina Monterisi ◽  
Alessandra Saponieri ◽  
Fabio Addona ◽  
Leonardo Damiani ◽  
...  
Keyword(s):  
Open Source ◽  
3D Visualization ◽  
Erosion Risk ◽  
Innovative Strategies ◽  
Web Mapping ◽  
Natural Processes ◽  
Multi Scale ◽  
Interactive Interface ◽  
Multi Temporal ◽  
User Friendly

The Italian coastline stretches over about 8350 km, with 3600 km of beaches, representing a significant resource for the country. Natural processes and anthropic interventions keep threatening its morphology, moulding its shape and triggering soil erosion phenomena. Thus, many scholars have been focusing their work on investigating and monitoring shoreline instability. Outcomes of such activities can be largely widespread and shared with expert and non-expert users through Web mapping. This paper describes the performances of a WebGIS prototype designed to disseminate the results of the Italian project Innovative Strategies for the Monitoring and Analysis of Erosion Risk, known as the STIMARE project. While aiming to include the entire national coastline, three study areas along the regional coasts of Puglia and Emilia Romagna have already been implemented as pilot cases. This WebGIS was generated using Free and Open-Source Software for Geographic information systems (FOSS4G). The platform was designed by combining Apache http server, Geoserver, as open-source server and PostgreSQL (with PostGIS extension) as database. Pure javascript libraries OpenLayers and Cesium were implemented to obtain a hybrid 2D and 3D visualization. A user-friendly interactive interface was programmed to help users visualize and download geospatial data in several formats (pdf, kml and shp), in accordance with the European INSPIRE directives, satisfying both multi-temporal and multi-scale perspectives.

scholarly journals Monitoring System for Tracking a PV Generator in an Experimental Smart Microgrid: An Open-Source Solution

2021 ◽  
Vol 13 (15) ◽  
pp. 8182
Author(s):  
José María Portalo ◽  
Isaías González ◽  
Antonio José Calderón
Keyword(s):  
Open Source ◽  
Monitoring System ◽  
Smart Grids ◽  
Raspberry Pi ◽  
Operator Interface ◽  
Open Source Hardware ◽  
Real Time Information ◽  
And Storage ◽  
Time Information ◽  
Pv Generator

Smart grids and smart microgrids (SMGs) require proper monitoring for their operation. To this end, measuring, data acquisition, and storage, as well as remote online visualization of real-time information, must be performed using suitable equipment. An experimental SMG is being deployed that combines photovoltaics and the energy carrier hydrogen through the interconnection of photovoltaic panels, electrolyser, fuel cell, and load around a voltage bus powered by a lithium battery. This paper presents a monitoring system based on open-source hardware and software for tracking the temperature of the photovoltaic generator in such an SMG. In fact, the increases in temperature in PV modules lead to a decrease in their efficiency, so this parameter needs to be measured in order to monitor and evaluate the operation. Specifically, the developed monitoring system consists of a network of digital temperature sensors connected to an Arduino microcontroller, which feeds the acquired data to a Raspberry Pi microcomputer. The latter is accessed by a cloud-enabled user/operator interface implemented in Grafana. The monitoring system is expounded and experimental results are reported to validate the proposal.

scholarly journals Managing a Community Data Collection with Open Source Software

2020 ◽  
Author(s):  
Roland Schweitzer ◽  
Ethan Davis ◽  
Sean Arms ◽  
Robert Simons ◽  
Kevin O'Brien ◽  
...  
Keyword(s):  
Data Collection ◽  
Open Source ◽  
Open Source Software ◽  
Community Data

scholarly journals Microvessel Chaste: An Open Library for Spatial Modelling of Vascularized Tissues

2017 ◽  
Author(s):  
J.A. Grogan ◽  
A.J. Connor ◽  
B. Markelc ◽  
R.J. Muschel ◽  
P.K. Maini ◽  
...  
Keyword(s):  
Open Source ◽  
Tumour Growth ◽  
Spatial Models ◽  
3D Models ◽  
Tissue Growth ◽  
Coronary Perfusion ◽  
Analysis Model ◽  
User Friendly

AbstractSpatial models of vascularized tissues are widely used in computational physiology, to study for example, tumour growth, angiogenesis, osteogenesis, coronary perfusion and oxygen delivery. Composition of such models is time-consuming, with many researchers writing custom software for this purpose. Recent advances in imaging have produced detailed three-dimensional (3D) datasets of vascularized tissues at the scale of individual cells. To fully exploit such data there is an increasing need for software that allows user-friendly composition of efficient, 3D models of vascularized tissue growth, and comparison of predictions with in vivo or in vitro experiments and other models. Microvessel Chaste is a new open-source library for building spatial models of vascularized tissue growth. It can be used to simulate vessel growth and adaptation in response to mechanical and chemical stimuli, intra- and extra-vascular transport of nutrient, growth factor and drugs, and cell proliferation in complex 3D geometries. The library provides a comprehensive Python interface to solvers implemented in C++, allowing user-friendly model composition, and integration with experimental data. Such integration is facilitated by interoperability with a growing collection of scientific Python software for image processing, statistical analysis, model annotation and visualization. The library is available under an open-source Berkeley Software Distribution (BSD) licence at https://jmsgrogan.github.io/MicrovesselChaste. This article links to two reproducible example problems, showing how the library can be used to model tumour growth and angiogenesis with realistic vessel networks.

scholarly journals Psi4 1.4: Open-Source Software for High-Throughput Quantum Chemistry

2020 ◽  
Author(s):  
Daniel Smith ◽  
Lori Burns ◽  
Andrew Simmonett ◽  
Robert Parrish ◽  
Matthew Schieber ◽  
...  
Keyword(s):  
Perturbation Theory ◽  
Quantum Chemistry ◽  
Open Source ◽  
Density Functional ◽  
Many Body ◽  
Hartree Fock ◽  
Large Numbers ◽  
Many Body Perturbation Theory ◽  
Infrastructure Project ◽  
Job Specification

<div> <div> <div> <p>Psi4 is a free and open-source ab initio electronic structure program providing Hartree–Fock, density functional theory, many-body perturbation theory, configuration interaction, density cumulant theory, symmetry-adapted perturbation theory, and coupled-cluster theory. Most of the methods are quite efficient thanks to density fitting and multi-core parallelism. The program is a hybrid of C++ and Python, and calculations may be run with very simple text files or using the Python API, facilitating post-processing and complex workflows; method developers also have access to most of Psi4’s core functionality via Python. Job specification may be passed using The Molecular Sciences Software Institute (MolSSI) QCSchema data format, facilitating interoperability. A rewrite of our top-level computation driver, and concomitant adoption of the MolSSI QCArchive Infrastructure project, make the latest version of Psi4 well suited to distributed computation of large numbers of independent tasks. The project has fostered the development of independent software components that may be reused in other quantum chemistry programs. </p> </div> </div> </div>

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