Search Results for "open-shell" - Page 4
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Showing 501 open source projects for "open-shell"
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atpbar
Progress bars for threading and multiprocessing tasks on terminal
Progress bars for threading and multiprocessing tasks on the terminal and Jupyter Notebook. atpbar can display multiple progress bars simultaneously growing to show the progresses of iterations of loops in threading or multiprocessing tasks. atpbar can display progress bars on the terminal and Jupyter Notebook. atpbar can be used with Mantichora. atpbar started its development in 2015 as part of Alphatwirl. atpbar prevented physicists from terminating their running analysis codes, which... -
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ipychart
The power of Chart.js with Python
Create charts with Python in a very similar way to creating charts using Chart.js. The charts created are fully configurable, interactive, and modular and are displayed directly in the output of the cells of your jupyter notebook environment. Charts are fully interactive, you can hover it to display tooltips and select the information you want to see directly from the output cell of your notebook. All the types of charts present in Chart.js are exposed in ipychart. Even complex features such... -
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Covalent workflow
Pythonic tool for running machine-learning/high performance workflows
Covalent is a Pythonic workflow tool for computational scientists, AI/ML software engineers, and anyone who needs to run experiments on limited or expensive computing resources including quantum computers, HPC clusters, GPU arrays, and cloud services. Covalent enables a researcher to run computation tasks on an advanced hardware platform – such as a quantum computer or serverless HPC cluster – using a single line of code. Covalent overcomes computational and operational challenges inherent... -
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JS Analyzer
Burp Suite extension for JavaScript static analysis
JS Analyzer is a powerful static analysis tool implemented as a Burp Suite extension that helps security researchers and web developers automatically uncover important artifacts in JavaScript files during web application testing. It parses JavaScript responses intercepted by Burp Suite and intelligently extracts API endpoints, full URLs (including cloud storage links), secrets like API keys or tokens, and email addresses while filtering out noise from irrelevant code patterns. The extension... -
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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nb-clean
Clean Jupyter notebooks of outputs, metadata, and empty cells
nb-clean cleans Jupyter notebooks of cell execution counts, metadata, outputs, and (optionally) empty cells, preparing them for committing to version control. It provides both a Git filter and pre-commit hook to automatically clean notebooks before they're staged, and can also be used with other version control systems, as a command line tool, and as a Python library. It can determine if a notebook is clean or not, which can be used as a check in your continuous integration pipelines.... -
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Modin
Scale your Pandas workflows by changing a single line of code
Scale your pandas workflow by changing a single line of code. Modin uses Ray, Dask or Unidist to provide an effortless way to speed up your pandas notebooks, scripts, and libraries. Unlike other distributed DataFrame libraries, Modin provides seamless integration and compatibility with existing pandas code. Even using the DataFrame constructor is identical. It is not necessary to know in advance the available hardware resources in order to use Modin. Additionally, it is not necessary to... -
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TensorBoardX
tensorboard for pytorch (and chainer, mxnet, numpy, etc.)
The SummaryWriter class provides a high-level API to create an event file in a given directory and add summaries and events to it. The class updates the file contents asynchronously. This allows a training program to call methods to add data to the file directly from the training loop, without slowing down training. TensorboardX now supports logging directly to Comet. Comet is a free cloud based solution that allows you to automatically track, compare and explain your experiments. It adds a... -
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AWS SDK for pandas
Easy integration with Athena, Glue, Redshift, Timestream, Neptune
aws-sdk-pandas (formerly AWS Data Wrangler) bridges pandas with the AWS analytics stack so DataFrames flow seamlessly to and from cloud services. With a few lines of code, you can read from and write to Amazon S3 in Parquet/CSV/JSON/ORC, register tables in the AWS Glue Data Catalog, and query with Amazon Athena directly into pandas. The library abstracts efficient patterns like partitioning, compression, and vectorized I/O so you get performant data lake operations without hand-rolling... -
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Recommenders
Best practices on recommendation systems
The Recommenders repository provides examples and best practices for building recommendation systems, provided as Jupyter notebooks. The module reco_utils contains functions to simplify common tasks used when developing and evaluating recommender systems. Several utilities are provided in reco_utils to support common tasks such as loading datasets in the format expected by different algorithms, evaluating model outputs, and splitting training/test data. Implementations of several... -
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Luigi
Python module that helps you build complex pipelines of batch jobs
Luigi is a Python (3.6, 3.7, 3.8, 3.9 tested) package that helps you build complex pipelines of batch jobs. It handles dependency resolution, workflow management, visualization, handling failures, command line integration, and much more. The purpose of Luigi is to address all the plumbing typically associated with long-running batch processes. You want to chain many tasks, automate them, and failures will happen. These tasks can be anything, but are typically long running things like Hadoop... -
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VisPy
Main repository for Vispy
Vispy is an open-source, high-performance interactive visualization library in Python, designed for creating scientific visualizations and interactive plots. It leverages the power of modern Graphics Processing Units (GPUs) through OpenGL to render large datasets efficiently. Vispy supports a wide range of visualization types, including 2D plots, 3D visualizations, volume rendering, and more, making it suitable for scientific research, data analysis, and educational purposes. -
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PySchool
Installable / Portable Python Distribution for Everyone.
PySchool is a free and open-source Python distribution intended primarily for students who learn Python and data analysis, but it can also used by scientists, engineering, and data scientists. It includes more than 150 Python packages (full edition) including numpy, pandas, scipy, sympy, keras, scikit-learn, matplotlib, seaborn, beautifulsoup4... -
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data-diff
Efficiently diff rows across two different databases
We're excited to announce the launch of a new open-source product, data-diff that makes comparing datasets across databases fast at any scale. data-diff automates data quality checks for data replication and migration. In modern data platforms, data is constantly moving between systems, and at the modern data volume and complexity, systems go out of sync all the time. Until now, there has not been any tooling to ensure that when the data is correctly copied. -
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FreeImage is a library project for developers who would like to support popular graphics image formats (PNG, JPEG, TIFF, BMP and others). Some highlights are: extremely simple in use, not limited to the local PC (unique FreeImageIO) and Plugin driven!
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GMAT
General Mission Analysis Tool
The General Mission Analysis Tool (GMAT) is an open-source tool for space mission design and navigation. GMAT is developed by a team of NASA, private industry, and public and private contributors. The GMAT development team is pleased to announce the release of GMAT version R2026a. For a complete list of new features, compatibility changes, and bug fixes, see the R2026a Release Notes in the Users Guide. -
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Gwyddion
Scanning probe microscopy data visualisation and analysis
A data visualization and processing tool for scanning probe microscopy (SPM, i.e. AFM, STM, MFM, SNOM/NSOM, ...) and profilometry data, useful also for general image and 2D data analysis. -
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Avogadro
An intuitive molecular editor and visualization tool
Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science and related areas. It offers a flexible rendering framework and a powerful plugin architecture. -
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dxf2gcode
DXF2GCODE: converting 2D dxf drawings to CNC machine compatible G-Code
DXF2GCODE is a tool for converting 2D (dxf, pdf, ps) drawings to CNC machine compatible GCode. Windows, Linux, and Mac support by using python scripting language. -
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Asymptote
2D & 3D TeX-Aware Vector Graphics Language
Asymptote is a powerful descriptive vector graphics language for technical drawing, inspired by MetaPost but with an improved C++-like syntax. Asymptote provides for figures the same high-quality typesetting that LaTeX does for scientific text. -
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HEALPix
Data Analysis, Simulations and Visualization on the Sphere
Software for pixelization, hierarchical indexation, synthesis, analysis, and visualization of data on the sphere. Please acknowledge HEALPix by quoting the web page http://healpix.sourceforge.net (or https://healpix.sourceforge.io) and publication: K.M. Gorski et al., 2005, Ap.J., 622, p.759 Full software documentation available at https://healpix.sourceforge.io/documentation.php Wiki Pages: https://sourceforge.net/p/healpix/wiki/Home Exchanging Data with HEALPix (in FITS files):... -
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Stand-alone application and Python tools for interactive and/or batch processing analysis of X-Ray Fluorescence Spectra. Graphical user interface (GUI) and batch processing capabilities provided.
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The Timeline Project
Cross-platform app for displaying and navigating events on a timeline.
The Timeline Project aims to create a free, cross-platform application for displaying and navigating events on a timeline. -
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Datapipe
Real-time, incremental ETL library for ML with record-level depend
Datapipe is a real-time, incremental ETL library for Python with record-level dependency tracking. Datapipe is designed to streamline the creation of data processing pipelines. It excels in scenarios where data is continuously changing, requiring pipelines to adapt and process only the modified data efficiently. This library tracks dependencies for each record in the pipeline, ensuring minimal and efficient data processing. -
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PLplot
Cross-platform, scientific graphics plotting library
PLplot is a cross-platform, scientific graphics plotting library that supports math symbols and human languages (via UTF-8 user input strings); plot capabilities for multiple non-interactive plot file formats and in multiple interactive environments; and bindings for multiple computer languages. -
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SMILI
Scientific Visualisation Made Easy
The Simple Medical Imaging Library Interface (SMILI), pronounced 'smilie', is an open-source, light-weight and easy-to-use medical imaging viewer and library for all major operating systems. The main sMILX application features for viewing n-D images, vector images, DICOMs, anonymizing, shape analysis and models/surfaces with easy drag and drop functions. It also features a number of standard processing algorithms for smoothing, thresholding, masking etc. images and models, both with graphical user interfaces and/or via the command-line. ...
