Search Results for "open-shell" - Page 25
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Showing 2490 open source projects for "open-shell"
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TSNE-CUDA
GPU Accelerated t-SNE for CUDA with Python bindings
This repo is an optimized CUDA version of FIt-SNE algorithm with associated python modules. We find that our implementation of t-SNE can be up to 1200x faster than Sklearn, or up to 50x faster than Multicore-TSNE when used with the right GPU. You can install binaries with anaconda for CUDA version 10.1 and 10.2 using conda install tsnecuda -c conda-forge. Tsnecuda supports CUDA versions 9.0 and later through source installation, check out the wiki for up to date installation instructions.... -
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The PDL module gives standard perl the ability to COMPACTLY store and SPEEDILY manipulate the large N-dimensional data sets that are the bread and butter of scientific computing.
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AOFlagger
RFI detector and quality analysis for astronomical radio observations
The AOFlagger is a tool that can find and remove radio-frequency interference (RFI) in radio astronomical observations. The code has been highly optimized for speed and accuracy. It is used by default for the LOFAR radio telescope and thus is in productional stage. The software can run in a fully automated way, but a graphical interface is provided to analyse results and tweak the strategy. The preferred input file format is the Casa Measurement Set (MS) format. I believe that the... -
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Specfe is a graphical front end program intended to aid the use of the 'spec' data acquisition software. It can display interactive graphs of scanned data and present a user-friendly graphical interface to several of the more common spec commands.
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Flux3D.jl
3D computer vision library in Julia
Flux3D.jl is a 3D vision library, written completely in Julia. This package utilizes Flux.jl and Zygote.jl as its building blocks for training 3D vision models and for supporting differentiation. This package also have support of CUDA GPU acceleration with CUDA.jl. -
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ipycytoscape
A Cytoscape Jupyter widget
A widget enabling interactive graph visualization with cytoscape.js in JupyterLab and the Jupyter Notebook. -
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giza
A scientific plotting library for C/Fortran built on cairo
A 2D scientific plotting library built on cairo. Provides uniform output to pdf, ps, png and X-Windows. Written in C with no dependencies (other than cairo) as a direct replacement for PGPLOT. -
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XISMuS
X-Ray Imaging Software for Multiple Samples
...IMPORTANT FIXES in respect to base v2.0.0 version: v.2.5.0 introduces the Differential Attenuation and Cube Viewer utilities, and migrates user database to *.json files v2.4.3 fixes a with K element in the fit-approx method v2.4.3 fixes and issue where saving plots with fit-approx or a auto-wizard could freeze the software v2.4.2 introduces Image Viewer to Mosaic v2.4.1 fixes an issue in merging H5 or EDF datasets with Mosaic Full changelog at https://linssab.github.io/history X-Ray Fluorescence Imaging Software for Multiple Samples is an open source software to manipulate and study macro-X-Ray Fluorescence (MA-XRF) datasets. XISMuS also works as a sample management tool, where you can easily change between datasets (samples) and compare, cross-interact and normalize them. -
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BizCharts
Powerful data visualization library based on G2 and React
BizCharts is Alibaba's general charting component library, dedicated to creating efficient, professional and convenient data visualization solutions in the middle and backend of enterprises. Based on the React charting library packaged by G2 and G2Plot, it has experienced three years of baptism in Alibaba's complex business scenarios. In terms of convenience, ease of use, and richness, it satisfies the business implementation of conventional charts and highly customized charts. After years... -
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WAV.jl
Julia package for working with WAV files
This is a Julia package to read and write the WAV audio file format. WAV provides wavread, wavwrite and wavappend functions to read, write, and append to WAV files. The function wavplay provides simple audio playback. These functions behave similarly to the former MATLAB functions of the same name. -
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PAMGUARD
Detection Classification and Localisation of marine mammals
The PAMGUARD project develops software to help detect, locate and classify marine mammals using Passive Acoustic Monitoring. This project is being migrated to github at https://github.com/PAMGuard. Please go there for the latest updates. thank you sourceforge for hosting us for all these years. -
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Semagrams.jl
A graphical editor for graph-like structures
A graphical editor for graph-like structures based on Catlab. Legacy version built with typescript is in the legacy branch, and will not receive updates; new version with scala is now in the main branch. The core of Semagrams is just a library; in order to make it do things, one needs to create an "app" that uses it. Currently, the only app that is being developed is a Petri net editor, though this will soon change. In order to run the Petri net editor standalone, install Mill and npm, and... -
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AlphaPlot
Interactive scientific graphing and data analysis software.
Alpha Plot can generate different types of 2D and 3D plots (such as line, scatter, bar, pie, and surface plots) from data that is either imported from ASCII files, entered by hand, or calculated using formulas. The data is held in spreadsheets which are referred to as tables with column-based data (typically X and Y values for 2D plots) or matrices (for 3D plots). The spreadsheets as well as graphs and note windows are gathered in a project and can be organized using folders. The built-in... -
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Feather.jl
Read and write feather files in pure Julia
Feather.jl provides a pure Julia library for reading and writing feather-formatted binary files, an efficient on-disk representation of a DataFrame. -
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ReinforcementLearningAnIntroduction.jl
Julia code for the book Reinforcement Learning An Introduction
This project provides the Julia code to generate figures in the book Reinforcement Learning: An Introduction(2nd). One of our main goals is to help users understand the basic concepts of reinforcement learning from an engineer's perspective. Once you have grasped how different components are organized, you're ready to explore a wide variety of modern deep reinforcement learning algorithms in ReinforcementLearningZoo.jl. -
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HiPlot
HiPlot makes understanding high dimensional data easy
HiPlot is an interactive visualization toolkit for exploring high-dimensional experiments, especially those produced during hyperparameter search or ablation studies. Its core view is a parallel-coordinates plot that lets you brush, filter, and highlight runs to spot trade-offs, correlations, and Pareto fronts at a glance. You can load results from simple CSV/JSON logs or programmatically push “experiments” with typed fields, metrics, and tags. The UI supports dynamic filtering, color... -
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Julia Data Science
Book on Julia for Data Science
This is an open source and open access book on how to do Data Science using Julia. Our target audience are researchers from all fields of applied sciences. Of course, we hope to be useful for industry too. You can navigate through the pages of the ebook by using the arrow keys (left/right) on your keyboard. -
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UE Viewer
Viewer and exporter for Unreal Engine 1-4 assets
Unreal Engine resource viewer (formerly Unreal Model Viewer) is a program for viewing and extracting resources from various games made with Unreal Engine. Sometimes the program is referenced as "umodel", the short of "unreal" and "model viewer". The project was originally named the "Unreal model viewer", however, the name was changed in 2011 to meet the request from Epic Games. Please note that the "official" project's name is "UE Viewer", and a short unofficial name of the project is... -
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SciMLTutorials.jl
Tutorials for doing scientific machine learning (SciML)
SciMLTutorials.jl holds PDFs, webpages, and interactive Jupyter notebooks showing how to utilize the software in the SciML Scientific Machine Learning ecosystem. This set of tutorials was made to complement the documentation and the devdocs by providing practical examples of the concepts. For more details, please consult the docs. To view the SciML Tutorials, go to tutorials.sciml.ai. By default, this will lead to the latest tagged version of the tutorials -
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Jupyter Dock
Perform molecular docking protocols interactively
Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting file formats and analyzing the results. These notebooks are Python 3 compatible. Each protocol and Jupyter notebook has its own test folder for testing and reproducibility evaluation. For all notebooks, the demonstration includes the use of AutoDock Vina and Ledock. When available, some alternatives are mentioned in the protocol. Jupyter Dock's initial goal... -
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Reexport.jl
Julia macro for re-exporting one module from another
Maybe you have a module X that depends on module Y and you want using X to pull in all of the symbols from Y. Maybe you have an outer module A with an inner module B, and you want to export all of the symbols in B from A. It would be nice to have this functionality built into Julia, but we have yet to reach an agreement on what it should look like. This short macro is a stopgap we have a better solution. -
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Hedgehog Lab
Run, compile and execute JavaScript for Scientific Computing
Hedgehog Lab is an open-source scientific computation tool in the browser. Before the development, Pleases make sure you are already installed and enabled the yarn. Once cloned, switch to the dev branch and navigate to the folder by typing cd hedgehog-lab and then running the provided commands. On each run the program compiles and it takes time. Please wait until it shows "Compiled successfully!" -
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BlazorTable
Blazor Table component with sorting, paging and filtering
Blazor Table component with sorting, paging and filtering. Provides column reordering features, edit mode, client side, paging and sorting, filtering and much more. -
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GPLIGC is a program for analysis and 3D visualization of GPS tracklogs (in igc format) as recorded by flight data recorders used by glider pilots.
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3Depict
atom probe software : visualisation and data analysis
This software is designed to help users visualize and analyze 3D point clouds with an associated real value, in a fast and flexible fashion. The primary use is in Atom Probe Tomography, which is an atomic imaging technique. However the program may also be useful in other areas, such as geospatial data, lidar, etc.
