Search Results for "open-shell" - Page 6
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Showing 1903 open source projects for "open-shell"
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VoronoiFVM.jl
Solution of nonlinear multiphysics partial differential equations
Solver for coupled nonlinear partial differential equations (elliptic-parabolic conservation laws) based on the Voronoi finite volume method. It uses automatic differentiation via ForwardDiff.jl and DiffResults.jl to evaluate user functions along with their jacobians and calculate derivatives of solutions with respect to their parameters. -
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Rotations.jl
Julia implementations for different rotation parameterizations
3D rotations made easy in Julia. This package implements various 3D rotation parameterizations and defines conversions between them. At their heart, each rotation parameterization is a 3×3 unitary (orthogonal) matrix (based on the StaticArrays.jl package), and acts to rotate a 3-vector about the origin through matrix-vector multiplication. While the RotMatrix type is a dense representation of a 3×3 matrix, we also have sparse (or computed, rather) representations such as quaternions,... -
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Books.jl
Create books with Julia
In a nutshell, this package is meant to generate books (or reports or dashboards) with embedded Julia output. Via Pandoc, the package can live serve a website and build various outputs including a website and PDF. For many standard output types, such as DataFrames and plots, the package can run your code and will automatically handle proper embedding in the output documents, and also try to guess suitable captions and labels. Also, it is possible to work via the live server, which shows... -
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Arrow Julia
Official Julia implementation of Apache Arrow
This is a pure Julia implementation of the Apache Arrow data standard. This package provides Julia AbstractVector objects for referencing data that conforms to the Arrow standard. This allows users to seamlessly interface Arrow formatted data with a great deal of existing Julia code. -
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Krylov.jl
A Julia Basket of Hand-Picked Krylov Methods
If you use Krylov.jl in your work, please cite it using the metadata given in CITATION.cff. -
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Oxygen.jl
A breath of fresh air for programming web apps in Julia
A breath of fresh air for programming web apps in Julia. Oxygen is a micro-framework built on top of the HTTP.jl library. Breathe easy knowing you can quickly spin up a web server with abstractions you're already familiar with. -
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Tullio.jl
Tullio is a very flexible einsum macro
Tullio is a very flexible einsum macro. It understands many array operations written in index notation -- not just matrix multiplication and permutations, but also convolutions, stencils, scatter/gather, and broadcasting. Used by itself the macro writes ordinary nested loops much like Einsum.@einsum. One difference is that it can parse more expressions, and infer ranges for their indices. Another is that it will use multi-threading (via Threads.@spawn) and recursive tiling, on large enough arrays. -
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POMDPs
Interface for defining, solving, simulating Markov decision processes
A Julia interface for defining, solving and simulating partially observable Markov decision processes and their fully observable counterparts. The POMDPs.jl package contains only the interface used for expressing and solving Markov decision processes (MDPs) and partially observable Markov decision processes (POMDPs). The POMDPTools package acts as a "standard library" for the POMDPs.jl interface, providing implementations of commonly-used components such as policies, belief updaters,... -
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Observable Plot
A concise API for exploratory data visualization
Observable Plot is a free, open-source JavaScript library to help you quickly visualize tabular data. It has a concise and (hopefully) memorable API to foster fluency — and plenty of examples to learn from and copy-paste. In the spirit of show don’t tell, below is a scatterplot of the height and weight of Olympic athletes (sourced from Matt Riggott), constructed using a dot mark. -
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Bumper.jl
Bring Your Own Stack
Bumper.jl is a package that aims to make working with bump allocators (also known as arena allocators) easier and safer. You can dynamically allocate memory to these bump allocators, and reset them at the end of a code block, just like Julia's stack. Allocating to a bump allocator with Bumper.jl can be just as efficient as stack allocation. Bumper.jl is still a young package, and may have bugs. Let me know if you find any. -
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NetCDF.jl
NetCDF support for the julia programming language
NetCDF support for the Julia programming language, there is a high-level and a medium-level interface for writing and reading netcdf files. The dimensions "x1" and "t" of the variable are called "x1" and "t" in this example. If the dimensions do not exist yet in the file, they will be created. The dimension "x1" will be of length 10 and have the values 11..20, and the dimension "t" will have length 20 and the attribute "units" with the value "s". -
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DoubleFloats.jl
Math with more good bits
Math with 85+ accurate bits. Extended precision float and complex types. -
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Polyhedra
Polyhedral Computation Interface
Polyhedra provides an unified interface for Polyhedral Computation Libraries such as CDDLib.jl. This manipulation notably includes the transformation from (resp. to) an inequality representation of a polyhedron to (resp. from) its generator representation (convex hull of points + conic hull of rays) and projection/elimination of a variable with e.g. Fourier-Motzkin. -
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Rocket.jl
Functional reactive programming extensions library for Julia
Rocket.jl is a Julia package for reactive programming using Observables, to make it easier to work with asynchronous data. Rocket.jl has been designed with a focus on performance and modularity. -
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EvoTrees.jl
Boosted trees in Julia
A Julia implementation of boosted trees with CPU and GPU support. Efficient histogram-based algorithms with support for multiple loss functions, including various regressions, multi-classification and Gaussian max likelihood. -
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Manopt.jl
Optimization on Manifolds in Julia
Optimization Algorithm on Riemannian Manifolds. A framework to implement arbitrary optimization algorithms on Riemannian Manifolds. Library of optimization algorithms on Riemannian manifolds. Easy-to-use interface for (debug) output and recording values during an algorithm run. Several tools to investigate the algorithms, gradients, and optimality criteria. -
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PowerSystems.jl
Data structures in Julia to enable power systems analysis
The PowerSystems.jl package provides a rigorous data model using Julia structures to enable power systems analysis and modeling. In addition to stand-alone system analysis tools and data model building, the PowerSystems.jl package is used as the foundational data container for the PowerSimulations.jl and PowerSimulationsDynamics.jl packages. PowerSystems.jl supports a limited number of data file formats for parsing. -
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MultivariateStats.jl
A Julia package for multivariate statistics and data analysis
A Julia package for multivariate statistics and data analysis (e.g. dimensionality reduction). -
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ExplainableAI.jl
Explainable AI in Julia
This package implements interpretability methods for black box models, with a focus on local explanations and attribution maps in input space. It is similar to Captum and Zennit for PyTorch and iNNvestigate for Keras models. Most of the implemented methods only require the model to be differentiable with Zygote. Layerwise Relevance Propagation (LRP) is implemented for use with Flux.jl models. -
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Tables.jl
An interface for tables in Julia
The Tables.jl package provides simple, yet powerful interface functions for working with all kinds of tabular data. -
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GemGIS
Spatial data processing for geomodeling
GemGIS is a Python-based, open-source geographic information processing library. It is capable of preprocessing spatial data such as vector data (shape files, geojson files, geopackages,…), raster data (tif, png,…), data obtained from online services (WCS, WMS, WFS) or XML/KML files (soon). Preprocessed data can be stored in a dedicated Data Class to be passed to the geomodeling package GemPy in order to accelerate the model-building process. -
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CounterfactualExplanations.jl
A package for Counterfactual Explanations and Algorithmic Recourse
CounterfactualExplanations.jl is a package for generating Counterfactual Explanations (CE) and Algorithmic Recourse (AR) for black-box algorithms. Both CE and AR are related tools for explainable artificial intelligence (XAI). While the package is written purely in Julia, it can be used to explain machine learning algorithms developed and trained in other popular programming languages like Python and R. See below for a short introduction and other resources or dive straight into the docs. -
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FinEtools.jl
Finite Element tools in Julia
FinEtools is a package for basic operations on finite element meshes: Construction, modification, selection, and evaluation of quantities defined on a mesh. Utilities are provided for maintaining mesh-based data (fields), for defining normals and loads, for working with physical units and coordinate systems, and for integrating over finite element meshes. -
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FFTW.jl
Julia bindings to the FFTW library for fast Fourier transforms
This package provides Julia bindings to the FFTW library for fast Fourier transforms (FFTs), as well as functionality useful for signal processing. These functions were formerly a part of Base Julia. Users with a build of Julia based on Intel's Math Kernel Library (MKL) can use MKL for FFTs by setting a preference in their top-level project by either using the FFTW.set_provider!() method, or by directly setting the preference using Preferences.jl. Note that this choice will be recorded for... -
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DataFramesMeta.jl
Metaprogramming tools for DataFrames
Metaprogramming tools for DataFrames.jl objects to provide more convenient syntax. DataFrames.jl has the functions select, transform, and combine, as well as the in-place select! and transform! for manipulating data frames. DataFramesMeta.jl provides the macros @select, @transform, @combine, @select!, and @transform! to mirror these functions with more convenient syntax. Inspired by dplyr in R and LINQ in C#.
