Search Results for "open-shell" - Page 11
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Showing 2982 open source projects for "open-shell"
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LatticeQCD.jl
A native Julia code for lattice QCD with dynamical fermions in 4D
This code enables you to perform lattice QCD calculations! A native Julia code for Lattice QCD. -
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InMemoryDatasets.jl
Multithreaded package for working with tabular data in Julia
InMemoryDatasets.jl is a multithreaded package for data manipulation and is designed for Julia 1.6+ (64-bit OS). The core computation engine of the package is a set of customized algorithms developed specifically for columnar tables. -
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ReservoirComputing.jl
Reservoir computing utilities for scientific machine learning (SciML)
ReservoirComputing.jl provides an efficient, modular and easy-to-use implementation of Reservoir Computing models such as Echo State Networks (ESNs). For information on using this package please refer to the stable documentation. Use the in-development documentation to take a look at not-yet-released features. -
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visx
Visualization components
visx a collection of expressive, low-level visualization primitives for React. At Airbnb, we made it a goal to unify our visualization stack across the company and in the process, we created a new project that brings together the power of D3 with the joy of React. visx is split into multiple packages. Start small and use only what you need. Bring your own state management, animation library, or CSS-in-JS solution. Odds are good your React app already has an opinion on how animation, theming,... -
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JDF.jl
Julia DataFrames serialization format
JDF is a DataFrames serialization format with the following goals, fast save and load times, compressed storage on disk, enabled disk-based data manipulation (not yet achieved), and support for machine learning workloads, e.g. mini-batch, sampling (not yet achieved). JDF stores a DataFrame in a folder with each column stored as a separate file. There is also a metadata.jls file that stores metadata about the original DataFrame. Collectively, the column files, the metadata file, and the... -
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StaticTools.jl
Enabling StaticCompiler.jl-based compilation of (some) Julia code
Tools to enable StaticCompiler.jl-based static compilation of Julia code (or more accurately, a subset of Julia which we might call "unsafe Julia") to standalone native binaries by avoiding GC allocations and llvmcall-ing all the things. This package currently requires Julia 1.8 or greater for best results (if in doubt, check which versions are passing CI). Integration tests against StaticCompiler.jl and LoopVectorization.jl are currently run with Julia 1.8 and 1.9 on x86-64 Linux and mac;... -
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HomotopyContinuation.jl
A Julia package for solving systems of polynomials
HomotopyContinuation.jl is a Julia package for solving systems of polynomial equations by numerical homotopy continuation. Many models in the sciences and engineering are expressed as sets of real solutions to systems of polynomial equations. We can optimize any objective whose gradient is an algebraic function using homotopy methods by computing all critical points of the objective function. An important special case is when the objective function is the euclidean distance to a given point.... -
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RCall.jl
Call R from Julia
R is a language for statistical computing and graphics that has been around for a couple of decades and it has one of the most impressive collections of scientific and statistical packages of any environment. Recently, the Julia language has become an attractive alternative because it provides the remarkable performance of a low-level language without sacrificing the readability and ease of use of high-level languages. However, Julia still lacks the depth and scale of the R package... -
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Infiltrator.jl
No-overhead breakpoints in Julia
This package provides the @infiltrate macro, which acts as a breakpoint with negligible runtime performance overhead. Note that you cannot access other function scopes or step into further calls. Use an actual debugger if you need that level of flexibility. Running code that ends up triggering the @infiltrate REPL mode via inline evaluation in VS Code or Juno can cause issues, so it's recommended to always use the REPL directly. When the infiltration point is hit, it will drop you into an... -
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ChainRules.jl
Forward and reverse mode automatic differentiation primitives
The ChainRules package provides a variety of common utilities that can be used by downstream automatic differentiation (AD) tools to define and execute forward-, reverse--, and mixed-mode primitives. The core logic of ChainRules is implemented in ChainRulesCore.jl. To add ChainRules support to your package, by defining new rules or frules, you only need to depend on the very light-weight package ChainRulesCore.jl. This repository contains ChainRules.jl, which is what people actually use... -
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Gradle Task Tree
Gradle plugin that adds a 'taskTree' task that prints task dependency
A Gradle plugin that adds a taskTree task to your build. Running it prints out a hierarchical, easy‑to‑read task dependency tree, helping you visualize the build execution order. -
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Compose.jl
Declarative vector graphics
Compose is a vector graphics library for Julia. It forms the basis for the statistical graphics system Gadfly. Compose is a declarative vector graphics system written in Julia. It's designed to simplify the creation of complex graphics and serves as the basis of the Gadfly data visualization package. -
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HypothesisTests.jl
Hypothesis tests for Julia
HypothesisTests.jl is a Julia package that implements a wide range of hypothesis tests. -
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gt R
Easily generate information-rich, publication-quality tables from R
With the gt package, anyone can make wonderful-looking tables using the R programming language. The gt philosophy: we can construct a wide variety of useful tables with a cohesive set of table parts. These include the table header, the stub, the column labels and spanner column labels, the table body, and the table footer. It all begins with table data (be it a tibble or a data frame). You then decide how to compose your gt table with the elements and formatting you need for the task at... -
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Parquet.jl
Julia implementation of Parquet columnar file format reader
A parquet file or dataset can be loaded using the read_parquet function. A parquet dataset is a directory with multiple parquet files, each of which is a partition belonging to the dataset. -
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MethodOfLines.jl
Automatic Finite Difference PDE solving with Julia SciML
MethodOfLines.jl is a Julia package for automated finite difference discretization of symbolically defined PDEs in N dimensions. It uses symbolic expressions for systems of partial differential equations as defined with ModelingToolkit.jl, and Interval from DomainSets.jl to define the space(time) over which the simulation runs. This project is under active development, therefore the interface is subject to change. The docs will be updated to reflect any changes, please check back for current... -
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GMT.jl
Generic Mapping Tools Library Wrapper for Julia
The Generic Mapping Tools, GMT, is an open source collection of tools for manipulating geographic and Cartesian data sets (including filtering, trend fitting, gridding, projecting, etc.) and producing PostScript illustrations ranging from simple x–y plots via contour maps to artificially illuminated surfaces and 3D perspective views. This link will take you to an impressive collection of figures made with GMT. -
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Wavelets.jl
A Julia package for fast discrete wavelet transforms and utilities
A Julia package for fast wavelet transforms (1-D, 2-D, 3-D, by filtering or lifting). The package includes discrete wavelet transforms, column-wise discrete wavelet transforms, and wavelet packet transforms. 1st generation wavelets using filter banks (periodic and orthogonal). Filters are included for the following types: Haar, Daubechies, Coiflet, Symmlet, Battle-Lemarie, Beylkin, Vaidyanathan. 2nd generation wavelets by lifting (periodic and general type including orthogonal and... -
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Metalhead.jl
Computer vision models for Flux
Metalhead.jl provides standard machine learning vision models for use with Flux.jl. The architectures in this package make use of pure Flux layers, and they represent the best practices for creating modules like residual blocks, inception blocks, etc. in Flux. Metalhead also provides some building blocks for more complex models in the Layers module. -
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Gridap.jl
Grid-based approximation of partial differential equations in Julia
Gridap provides a set of tools for the grid-based approximation of partial differential equations (PDEs) written in the Julia programming language. The library currently supports linear and nonlinear PDE systems for scalar and vector fields, single and multi-field problems, conforming and nonconforming finite element (FE) discretizations, on structured and unstructured meshes of simplices and n-cubes. It also provides methods for time integration. Gridap is extensible and modular. One can... -
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Pluto.jl
Simple reactive notebooks for Julia plutojl.org
We are on a mission to make scientific computing more accessible and fun. Writing a notebook is not just about writing the final document, Pluto empowers the experiments and discoveries that are essential to getting there. -
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deck.gl
WebGL2 powered visualization framework
deck.gl is designed to simplify high-performance, WebGL-based visualization of large data sets. Users can quickly get impressive visual results with minimal effort by composing existing layers, or leveraging deck.gl's extensible architecture to address customer needs. deck.gl maps data (usually an array of JSON objects) into a stack of visual layers - e.g. icons, polygons, texts; and look at them with views: e.g. map, first-person, orthographic. deck.gl handles a number of challenges out of... -
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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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ReactiveMP.jl
High-performance reactive message-passing based Bayesian engine
ReactiveMP.jl is a Julia package that provides an efficient reactive message passing based Bayesian inference engine on a factor graph. The package is a part of the bigger and user-friendly ecosystem for automatic Bayesian inference called RxInfer. While ReactiveMP.jl exports only the inference engine, RxInfer provides convenient tools for model and inference constraints specification as well as routines for running efficient inference both for static and real-time datasets. -
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ProbabilisticCircuits.jl
Probabilistic Circuits from the Juice library
This module provides a Julia implementation of Probabilistic Circuits (PCs), tools to learn structure and parameters of PCs from data, and tools to do tractable exact inference with them. Probabilistic Circuits provides a unifying framework for several family of tractable probabilistic models. PCs are represented as computational graphs that define a joint probability distribution as recursive mixtures (sum units) and factorizations (product units) of simpler distributions (input units)....
