Search Results for "open-shell" - Page 3
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Showing 237 open source projects for "open-shell"
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Go From AI Idea to AI App FastAccess Gemini 3 and 200+ models. Build chatbots, agents, or custom models with built-in monitoring and scaling.
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MongoDB Atlas runs apps anywhereMongoDB Atlas gives you the freedom to build and run modern applications anywhere—across AWS, Azure, and Google Cloud. With global availability in over 115 regions, Atlas lets you deploy close to your users, meet compliance needs, and scale with confidence across any geography.
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relax
Molecular dynamics by NMR data analysis
The software package 'relax' is designed for the study of molecular dynamics through the analysis of experimental NMR data. Organic molecules, proteins, RNA, DNA, sugars, and other biomolecules are all supported. It supports exponential curve fitting for the calculation of the R1 and R2 relaxation rates, calculation of the NOE, reduced spectral density mapping, the Lipari and Szabo model-free analysis, study of domain motions via the N-state model and frame order dynamics theories using... -
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Uranie
Uranie is CEA's uncertainty analysis platform, based on ROOT
Uranie is a sensitivity and uncertainty analysis plateform based on the ROOT framework (http://root.cern.ch) . It is developed at CEA, the French Atomic Energy Commission (http://www.cea.fr). It provides various tools for: - data analysis - sampling - statistical modeling - optimisation - sensitivity analysis - uncertainty analysis - running code on high performance computers - etc. Thanks to ROOT, it is easily scriptable in CINT (c++ like syntax) and Python. Is is... -
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DocWire SDK
Award-winning modern data processing SDK in C++20
DocWire SDK, a standout C++20AI driven data processing tool, has received award from SourceForge and strong backing from Microsoft. It handles nearly 100 file types, empowering efficient text extraction, web data extraction, and document analysis. For businesses, the shift to DocWire SDK signifies a leap forward. It promises comprehensive document format support and the ability to extract valuable insights from email boxes, databases, and websites using cutting-edge AI. DocWire SDK aims to... -
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xrayutilities
a package with useful scripts for X-ray diffraction physicists
xrayutilities is a python package used to analyze x-ray diffraction data. It can support with performing diffraction experiments and used for common steps in the data analysis. It can read experimental data from several data formats (spec, edf, xrdml, ...); convert them to reciprocal space for arbitrary goniometer geometries and different detector systems (point, linear as well as area detectors); for further processing the data can be gridded (transformed to a regular grid). More... -
Full-stack observability with actually useful AI | Grafana CloudBuilt on open standards like Prometheus and OpenTelemetry, Grafana Cloud includes Kubernetes Monitoring, Application Observability, Incident Response, plus the AI-powered Grafana Assistant. Get started with our generous free tier today.
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FreeSEM
Free and open-source desktop application designed for SEM
FreeSEM is a free, open-source desktop application designed for researchers and students to perform Structural Equation Modeling (SEM) for statistical and research analysis. It allows users to visually build models using a drag-and-drop interface to create path diagrams and analyze relationships between observed and latent variables. The software supports methods such as exploratory factor analysis, covariance-based SEM, partial least squares SEM, and meta-SEM, and it provides model fit statistics like CFI, TLI, RMSEA, SRMR, and chi-square to evaluate models. ... -
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Graph Plotter
GP is a tool to analyse numerical data
GP is aimed to be simple and fast tool to analyse numerical data. It does not claim to replace all other plotters. -
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Audit Data Analytics, LLC's ADA software is an open source solution for performing operations on audit data, such as filtering specific records and summarizing data sets.
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Enterprise Data Analytics
EDA is the most user friendly reporting tool
EDA is the most user friendly reporting tool: It requires NO technical knowledge. 100% Descriptive information. Start-up in 10 minutes. View results easily. Explore the data for yourself. Automates the publication of information. -
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EChem++ is a software system based on an object oriented approach to electrochemical experimentation, simulation, and data analysis. Currently, development emphasis lies on the modelling and simulation as well as the analysis modules.
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AI-generated apps that pass security reviewRetool lets you generate dashboards, admin panels, and workflows directly on your data. Type something like “Build me a revenue dashboard on my Stripe data” and get a working app with security, permissions, and compliance built in from day one. Whether on our cloud or self-hosted, create the internal software your team needs without compromising enterprise standards or control.
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mzMatch is a Java collection of small commandline tools specific for metabolomics MS data analysis. The tools are built on top of the PeakML core library, providing mass spectrometry specific functionality and access to the PeakML file format.
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CT4AM
Tools for 3D image analysis of additively manufactured parts
CT4AM is a cross-platform toolkit for 3D-image processing in the domain of additive manufacturing for toolpath visualisation or correlation to tomographic data and related materials science. It is written in C++ and provides small, problem-specific applications for viewing, analysing and visualising of volumetric data from micro-CT scans with respect to the complex process parameters and characteristics of additive manufacturing. Moreover, data analysis and processing of G-code are key... -
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PlateEditor
PlateEditor, a free web application to work with multi-well plates
PlateEditor is a free web application to work with multi-well plates, from creation of layouts to data visualization and aggregation. It is primarily designed as a tool to help scientists working in the field of biology to simplify and fasten the process of data analysis. It is fully client-side: files are never transferred to the server, ensuring complete security and privacy of research data. It doesn't require any installation. - PlateEditor is available at this... -
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Data Preprocessing Automate
Data Preprocessing Automation: A GUI for easy data cleaning & visualiz
Data Preprocessing Automation is a Python-based GUI application designed to simplify and automate data preprocessing tasks. It allows users to upload Excel files, automatically handle missing values, remove duplicates, and detect and remove outliers using statistical methods. The application provides data visualization tools, including box plots for distribution analysis and scatter plots for exploring relationships between variables. Users can download the processed data for further... -
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SafeUtils
110+ developer tools as native MacOS, Linux & Windows desktop apps.
Tools: https://safeutils.com/barcode-generator https://safeutils.com/color-picker https://safeutils.com/qr-code-generator https://safeutils.com/qr-code-scanner https://safeutils.com/word-counter https://safeutils.com/base-64-decoder https://safeutils.com/diff-checker https://safeutils.com/hex-to-ascii https://safeutils.com/json-formatter https://safeutils.com/lorem-ipsum-generator https://safeutils.com/random-generator https://safeutils.com/time-converter https://safeutils.com/... -
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FlowViewer
FlowViewer is a web-based netflow data analysis tool.
...FlowViewer has been developed for NASA’s Earth Sciences Data and Information System (ESDIS) networks, and credit goes to NASA for their usual outstanding support of innovation. The FlowViewer tools provide additional graphing and tracking features by utilizing open source software including Thomas Boutrell’s gd, Lincoln Stein's GD, Martien Verbruggen's GD::Graph, and Tobias Oetiker’s RRDtool. FlowViewer v4.6 fixes non-UTC local time environments for FlowViewer and FlowGrapher, and $no_devices_or_exporters FlowMonitor_Collector problem. **Note: SiLK must be v3.8.0 or later. Version 3.9 handles sFlow data. -
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Rust Data Analysis
Rust for data analysis encyclopedia (WIP)
Welcome to the Rust Data Analysis repository! This collection of Jupyter notebooks provides a comprehensive exploration of data analysis using Rust. Powered by a Rust kernel, these notebooks allow you to dive deep into the realm of data analysis, leveraging the capabilities of the Rust programming language. With the help of various Rust libraries, such as ndarray, plotters, and more, you'll be able to extract valuable insights from different datasets with ease. -
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123VCF
An Intuitive and Efficient Tool for VCF file filtration
123VCF has been developed to make the filtration step of VCF files efficient and more importantly easy to understand. It can be used in the most important step of whole exome/genome sequencing data analysis in the research and also clinical settings. User manual: https://dl.adbioinformatics.net/123VCF/123VCF_Manual.ver2.pdf If you use 123VCF, please cite its paper: Eidi, M., Abdolalizadeh, S., Moeini, S. et al. 123VCF: an intuitive and efficient tool for filtering VCF files. BMC... -
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Python Laboratory Operations Toolkit
many useful snippets for using python in a laboratory
A toolkit of Python software useful in a laboratory data acquisition and analysis environment. Includes support for such protocols as VXI-11 (and its extension, LXI), Vernier LabPro (now very old), and National Instruments DSTP (now very old). Also includes data analysis and modelling tidbits. Python3 updates are on the way in the very near future for the biggest packages. the vxi11 package is fully up-to-date, although see the blog post about python 3.13 -
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Amazon Kinesis Flink Connectors
Contains various Apache Flink connectors to connect to AWS data
This library contains various Apache Flink connectors to connect to AWS data sources and sinks. This repository contains various Apache Flink connectors to connect to AWS Kinesis data sources and sinks. Flink maintain backwards compatibility for the Sink interface used by the Firehose Producer. This project is compatible with Flink 1.x, there is no guarantee it will support Flink 2.x should it release in the future. An Apache Flink application is a Java or Scala application that is created... -
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Gephi
Gephi the open graph Viz platform
Gephi is the leading visualization and exploration software for all kinds of graphs and networks. Gephi is open-source and free. Gephi is an award-winning open-source platform for visualizing and manipulating large graphs. It runs on Windows, Mac OS X and Linux. Localization is available in English, French, Spanish, Japanese, Russian, Brazilian Portuguese, Chinese, Czech and German. Fast Powered by a built-in OpenGL engine, Gephi is able to push the envelope with very large networks. ... -
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CSI-Math-Notation-PostfixInfix
Perl Lib Math Notation
... * NOTE: - Before any implementation, we recommend details in WIKI (https://sourceforge.net/p/csi-math-notation-postfixinfix/wiki/) or the CPAN Perl Modules, see: https://metacpan.org/pod/Math::Notation::PostfixInfix * Support: The Support Service is FREE. Do you need support? Open a ticket and I will get back to you as soon as possible. * Professional Services: Do you need any FREE professional services to use? Open a ticket as "FAQ request" and I will get back to you as soon as possible. i.e: subject: -
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DataMelt
Computation and Visualization environment
DataMelt (or "DMelt") is an environment for numeric computation, data analysis, computational statistics, and data visualization. This Java multiplatform program is integrated with several scripting languages such as Jython (Python), Groovy, JRuby, BeanShell. DMelt can be used to plot functions and data in 2D and 3D, perform statistical tests, data mining, numeric computations, function minimization, linear algebra, solving systems of linear and differential equations. Linear, non-linear... -
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Wooey
A Django app that creates automatic web UIs for Python scripts
Wooey is a simple web interface to run command line Python scripts. Think of it as an easy way to get your scripts up on the web for routine data analysis, file processing, or anything else. The project was inspired by how simply and powerfully sandman could expose users to a database and by how Gooey turns ArgumentParser-based command-line scripts into WxWidgets GUIs. Originally two separate projects (Django-based djangui by Chris Mitchell and Flask-based Wooey by Martin Fitzpatrick) it has... -
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SandDance
Visually explore, understand, and present your data
...Smooth animated transitions between views help you to maintain context as you interact with your data. This new version of SandDance has been rebuilt from scratch with the goal of being modular, extensible, and embeddable into your custom applications. We are open and driven by the community through contributions, feature requests, and discussion. SandDance was created by the Microsoft Research VIDA Group which explores novel technologies for visualization and immersive data analytics. -
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Log4jScanner
A log4j vulnerability filesystem scanner and Go package
log4jscanner is a filesystem scanner and Go package that helps organizations quickly identify vulnerable Log4j components inside JARs and shaded dependencies. Instead of probing networks, it walks directories and archives, including nested JARs, to find version fingerprints and risky classes associated with the Log4Shell family of issues. The focus on static analysis makes it suitable for container images, build artifacts, and offline systems where active scanning isn’t feasible. Clear,...
