Search Results for "open-shell" - Page 12
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Showing 2490 open source projects for "open-shell"
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Clustering.jl
A Julia package for data clustering
Methods for data clustering and evaluation of clustering quality. -
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Measurements.jl
Error propagation calculator and library for physical measurements
Error propagation calculator and library for physical measurements. It supports real and complex numbers with uncertainty, arbitrary precision calculations, operations with arrays, and numerical integration. Physical measures are typically reported with an error, a quantification of the uncertainty of the accuracy of the measurement. Whenever you perform mathematical operations involving these quantities you have also to propagate the uncertainty, so that the resulting number will also have... -
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PythonCall & JuliaCall
Python and Julia in harmony
Bringing Python® and Julia together in seamless harmony. Call Python code from Julia and Julia code from Python via a symmetric interface. Simple syntax, so the Python code looks like Python and the Julia code looks like Julia. Intuitive and flexible conversions between Julia and Python: anything can be converted, you are in control. Fast non-copying conversion of numeric arrays in either direction: modify Python arrays (e.g. bytes, array. array, numpy.ndarray) from Julia or Julia arrays... -
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CUDA.jl
CUDA programming in Julia
High-performance GPU programming in a high-level language. JuliaGPU is a GitHub organization created to unify the many packages for programming GPUs in Julia. With its high-level syntax and flexible compiler, Julia is well-positioned to productively program hardware accelerators like GPUs without sacrificing performance. The latest development version of CUDA.jl requires Julia 1.8 or higher. If you are using an older version of Julia, you need to use a previous version of CUDA.jl. This will... -
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Java Tablesaw
Java dataframe and visualization library
Tablesaw is a dataframe and visualization library that supports loading, cleaning, transforming, filtering, and summarizing data. If you work with data in Java, it may save you time and effort. Tablesaw also supports descriptive statistics and can be used to prepare data for working with machine learning libraries like Smile, Tribuo, H20.ai, DL4J. Import data from RDBMS, Excel, CSV, TSV, JSON, HTML, or Fixed Width text files, whether they are local or remote (http, S3, etc.) Tablesaw... -
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G2
Interactive data-driven visualization grammar for statistical charts
G2 is a highly interactive data-driven visualization grammar for statistical charts. with a high level of usability and scalability. It provides a set of grammar, and takes users beyond a limited set of charts to an almost unlimited world of graphical forms. With G2, you can describe the visual appearance and interactive behavior of visualization just by one statement, and generate web-based views using Canvas or SVG. We have summarized a series of story design templates from lots of real... -
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Neuroglancer
WebGL-based viewer for volumetric data
Neuroglancer is a WebGL-based visualization tool designed for exploring large-scale volumetric and neuroimaging datasets directly in the browser. It allows users to interactively view arbitrary 2D and 3D cross-sections of volumetric data alongside 3D meshes and skeleton models, enabling precise examination of neural structures and biological imaging results. Its multi-pane interface synchronizes multiple orthogonal views with a central 3D viewport, making it ideal for analyzing complex brain... -
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geemap
A Python package for interactive geospaital analysis and visualization
A Python package for interactive geospatial analysis and visualization with Google Earth Engine. Geemap is a Python package for geospatial analysis and visualization with Google Earth Engine (GEE), which is a cloud computing platform with a multi-petabyte catalog of satellite imagery and geospatial datasets. During the past few years, GEE has become very popular in the geospatial community and it has empowered numerous environmental applications at local, regional, and global scales. GEE... -
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FileTrees.jl
Parallel file processing made easy
Easy everyday parallelism with a file tree abstraction. Read a directory structure as a Julia data structure, (lazy-)load the files, apply map and reduce operations on the data while not exceeding available memory if possible. Make up a file tree in memory, create some data to go with each file (in parallel), write the tree to disk (in parallel). FileTrees is a set of tools to lazy-load, process and save file trees. Built-in parallelism allows you to max out all threads and processes that... -
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AppleAccelerate.jl
Julia interface to the macOS Accelerate framework
Julia interface to the macOS Accelerate framework. This provides a Julia interface to some of the macOS Accelerate frameworks. At the moment, this package provides access to Accelerate BLAS and LAPACK using the libblastrampoline framework, an interface to the array-oriented functions, which provide a vectorized form for many common mathematical functions. The performance is significantly better than using standard libm functions in some cases, though there does appear to be some reduced... -
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GDAL.jl
Thin Julia wrapper for GDAL - Geospatial Data Abstraction Library
Julia wrapper for GDAL - Geospatial Data Abstraction Library. This package is a binding to the C API of GDAL/OGR. It provides only a C style usage, where resources must be closed manually, and datasets are pointers. Other packages can build on top of this to provide a more Julian user experience. See for example ArchGDAL.jl. Most users will want to use ArchGDAL.jl instead of using GDAL.jl directly. -
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CausalityTools.jl
Algorithms for detecting associations, dynamical influences
CausalityTools.jl is a package for quantifying associations and dynamical coupling between datasets, independence testing, and causal inference. Association measures from conventional statistics, information theory, and dynamical systems theory, for example, distance correlation, mutual information, transfer entropy, convergent cross mapping and a lot more. A dedicated API for independence testing, which comes with automatic compatibility with every measure-estimator combination you can... -
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EAGO.jl
A development environment for robust and global optimization
EAGO is an open-source development environment for robust and global optimization in Julia. EAGO is a deterministic global optimizer designed to address a wide variety of optimization problems, emphasizing nonlinear programs (NLPs), by propagating McCormick relaxations along the factorable structure of each expression in the NLP. Most operators supported by modern automatic differentiation (AD) packages (e.g., +, sin, cosh) are supported by EAGO and a number of utilities for sanitizing native Julia code and generating relaxations on a wide variety of user-defined functions have been included. ... -
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GoldenCheetah
Performance Software for Cyclists, Runners, Triathletes and Coaches
Analyze using summary metrics like BikeStress, TRIMP, or RPE. Extract insight via models like Critical Power and W'bal. Track and predict performance using models like Banister and PMC. Optimize aerodynamics using Virtual Elevation. Train indoors with ANT and BTLE trainers. Upload and Download with many cloud services including Strava, Withings, and Today's Plan. Import and export data to and from a wide range of bike computers and file formats. Track body measures, and equipment use and set... -
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PartitionedArrays.jl
Vectors and sparse matrices partitioned into pieces
This package provides distributed (a.k.a. partitioned) vectors and sparse matrices in Julia. See the documentation for further details. -
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Vulkan.jl
Using Vulkan from Julia
Vulkan.jl is a lightweight wrapper around the Vulkan graphics and compute library. It exposes abstractions over the underlying C interface, primarily geared toward developers looking for a more natural way to work with Vulkan with minimal overhead. It builds upon the core API provided by VulkanCore.jl. Because Vulkan is originally a C specification, interfacing with it requires some knowledge before correctly being used from Julia. This package acts as an abstraction layer, so that you don't... -
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JLD2
HDF5-compatible file format in pure Julia
JLD2 saves and loads Julia data structures in a format comprising a subset of HDF5, without any dependency on the HDF5 C library. JLD2 is able to read most HDF5 files created by other HDF5 implementations supporting HDF5 File Format Specification Version 3.0 (i.e. libhdf5 1.10 or later) and similarly, those should be able to read the files that JLD2 produces. JLD2 provides read-only support for files created with the JLD package. The save and load functions, provided by FileIO, provide a... -
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G6
A Graph Visualization Framework in JavaScript
G6 is graph visualization engine with simplicity and convenience. Based on the ability to customize, it provides a set of elegant graph visualization solutions and helps developers to build up applications for graph visualization, graph analysis, and graph editor. G6 is a complete graph visualization engine, which focuses on relational data. According to practical business scenarios, we found the top solutions. Well-designed simple, flexible, and extendable interfaces will satisfy your... -
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ArviZ.jl
Exploratory analysis of Bayesian models with Julia
ArviZ.jl (pronounced "AR-vees") is a Julia package for exploratory analysis of Bayesian models. It includes functions for posterior analysis, model checking, comparison and diagnostics. -
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Setfield.jl
Update deeply nested immutable structs
Update deeply nested immutable structs. We plan to maintain Setfield.jl for a long time. We will however not add new features. -
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PairPlots.jl
Beautiful and flexible vizualizations of high dimensional data
Beautiful and flexible visualizations of high-dimensional data. This package produces pair plots, otherwise known as corner plots or scatter plot matrices: grids of 1D and 2D histograms that allow you to visualize high-dimensional data. Pair plots are an excellent way to visualize the results of MCMC simulations, but are also a useful way to visualize correlations in general data tables. The default styles of this package roughly reproduce the output of the Python library corner.py for a... -
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PDFIO.jl
PDF Reader Library for Native Julia.
PDFIO is a native Julia implementation for reading PDF files. It's a 100% Julia implementation of the PDF specification. Other than a few well-established algorithms like flate decode (zlib library) or cryptographic operations (OpenSSL library) almost all of the APIs are written in native Julia. PDF files are in existence for over three decades. Implementations of the PDF writers are not always to the specification or they may even vary significantly from vendor to vendor. Every time, you... -
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SciML Style Guide for Julia
A style guide for stylish Julia developers
The SciML Style Guide is a style guide for the Julia programming language. It is used by the SciML Open Source Scientific Machine Learning Organization. As such, it is open to discussion with the community. If the standard for code contributions is that every PR needs to support every possible input type that anyone can think of, the barrier would be too high for newcomers. Instead, the principle is to be as correct as possible to begin with, and grow the generic support over time. ... -
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DynamicHMC
Implementation of robust dynamic Hamiltonian Monte Carlo methods
Implementation of robust dynamic Hamiltonian Monte Carlo methods in Julia. In contrast to frameworks that utilize a directed acyclic graph to build a posterior for a Bayesian model from small components, this package requires that you code a log-density function of the posterior in Julia. Derivatives can be provided manually, or using automatic differentiation. Consequently, this package requires that the user is comfortable with the basics of the theory of Bayesian inference, to the extent... -
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UnROOT.jl
Native Julia I/O package to work with CERN ROOT files objects
UnROOT.jl is a reader for the CERN ROOT file format written entirely in Julia, without any dependence on ROOT or Python.
