Search Results for "open-shell" - Page 10
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Showing 2490 open source projects for "open-shell"
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EzXML.jl
XML/HTML handling tools for primates
EzXML.jl is a package to handle XML/HTML documents for primates. This package depends on libxml2, which will be automatically installed as an artifact via XML2_jll.jl if you use Julia 1.3 or later. Currently, Windows, Linux, macOS, and FreeBSD are now supported. -
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GeophysicalFlows.jl
Geophysical fluid dynamics pseudospectral solvers with Julia
GeophysicalFlows.jl is a collection of modules that leverage the FourierFlows.jl framework to provide solvers for problems in Geophysical Fluid Dynamics, on periodic domains using Fourier-based pseudospectral methods. -
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JILL.py
A cross-platform installer for the Julia programming language
The enhanced Python fork of JILL, Julia Installer for Linux (and every other platform), Light. -
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KernelAbstractions.jl
Heterogeneous programming in Julia
KernelAbstractions (KA) is a package that enables you to write GPU-like kernels targetting different execution backends. KA is intended to be a minimal and performant library that explores ways to write heterogeneous code. -
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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jlrs
Julia bindings for Rust
jlrs is a crate that provides access to most of the Julia C API, it can be used to embed Julia in Rust applications and to use functionality it provides when writing ccallable functions in Rust. Currently, this crate is only tested in combination with Julia 1.6 and 1.9, but also supports Julia 1.7, 1.8, and 1.10. Using the current stable version is highly recommended. The minimum supported Rust version is currently 1.65. Julia must be installed before jlrs can be used, jlrs is compatible... -
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PlotlyJS
Julia library for plotting with plotly.js
Julia interface to plotly.js visualization library. This package constructs plotly graphics using all local resources. To interact or save graphics to the Plotly cloud, use the Plotly package. -
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Distances.jl
A Julia package for evaluating distances (metrics) between vectors
A Julia package for evaluating distances (metrics) between vectors. This package also provides optimized functions to compute column-wise and pairwise distances, which are often substantially faster than a straightforward loop implementation. -
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Personal Management System
Your web application for managing personal data
It's easier to understand this web application when you think about a CMS (WordPress) or CRM (SugarCRM); the logic behind this system is very similar to those two. My PMS may offer fewer possibilities than those systems above, but it just does what I want it to do. Additionally, writing extensions is not too hard, depending on the logic required. Anyone with development knowledge can pretty much write their own extensions for personal needs. Keep a track of your personal goals. You can use... -
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vue-chartjs
Vue.js wrapper for Chart.js
vue-chartjs is a wrapper for Chart.js in vue. You can easily create reusable chart components. You can use vue-chartjs directly in the browser without any build setup. Like in this codepen. For this case, please use the vue-chartjs.min.js which is the minified version. You also need to add the Chart.js CDN script. Chart.js does not update or re-render the chart if new data is passed. However, you can simply implement this on your own or use one of the two mixins which are included. The... -
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ScientificTypes.jl
An API for dispatching on the "scientific" type of data
This package makes a distinction between machine type and scientific type of a Julia object. The machine type refers to the Julia type being used to represent the object (for instance, Float64). The scientific type is one of the types defined in ScientificTypesBase.jl reflecting how the object should be interpreted (for instance, Continuous or Multiclass). -
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ConformalPrediction.jl
Predictive Uncertainty Quantification through Conformal Prediction
ConformalPrediction.jl is a package for Predictive Uncertainty Quantification (UQ) through Conformal Prediction (CP) in Julia. It is designed to work with supervised models trained in MLJ (Blaom et al. 2020). Conformal Prediction is easy-to-understand, easy-to-use and model-agnostic and it works under minimal distributional assumptions. Intuitively, CP works under the premise of turning heuristic notions of uncertainty into rigorous uncertainty estimates through repeated sampling or the use... -
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NCDatasets.jl
Load and create NetCDF files in Julia
NCDatasets allows one to read and create netCDF files. NetCDF data set and attribute list behave like Julia dictionaries and variables like Julia arrays. This package implements the CommonDataModel.jl interface, which means that the datasets can be accessed in the same way as GRIB files opened with GRIBDatasets.jl. -
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SimpleTraits.jl
Simple Traits for Julia
This package provides a macro-based implementation of traits, using Tim Holy's trait trick. The main idea behind traits is to group types outside the type-hierarchy and to make dispatch work with that grouping. The difference to Union-types is that types can be added to a trait after the creation of the trait, whereas Union types are fixed after creation. The cool thing about Tim's trick is that there is no performance impact compared to using ordinary dispatch. For a bit of background and a... -
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ReverseDiff
Reverse Mode Automatic Differentiation for Julia
ReverseDiff is a fast and compile-able tape-based reverse mode automatic differentiation (AD) that implements methods to take gradients, Jacobians, Hessians, and higher-order derivatives of native Julia functions (or any callable object, really). While performance can vary depending on the functions you evaluate, the algorithms implemented by ReverseDiff generally outperform non-AD algorithms in both speed and accuracy. -
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Interpolations.jl
Fast, continuous interpolation of discrete datasets in Julia
This package implements a variety of interpolation schemes for the Julia language. It has the goals of ease of use, broad algorithmic support, and exceptional performance. Currently, this package supports B-splines and irregular grids. The API has been designed with the intent to support more options. Initial support for Lanczos interpolation was recently added. Pull requests are more than welcome! It should be noted that the API may continue to evolve over time. -
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PySR
High-Performance Symbolic Regression in Python and Julia
PySR is an open-source tool for Symbolic Regression: a machine learning task where the goal is to find an interpretable symbolic expression that optimizes some objective. Over a period of several years, PySR has been engineered from the ground up to be (1) as high-performance as possible, (2) as configurable as possible, and (3) easy to use. PySR is developed alongside the Julia library SymbolicRegression.jl, which forms the powerful search engine of PySR. -
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QuasiMonteCarlo.jl
Lightweight and easy generation of quasi-Monte Carlo sequences
Lightweight and easy generation of quasi-Monte Carlo sequences with a ton of different methods on one API for easy parameter exploration in scientific machine learning (SciML). This is a lightweight package for generating Quasi-Monte Carlo (QMC) samples using various different methods. -
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UMAP.jl
Uniform Manifold Approximation and Projection (UMAP) implementation
A pure Julia implementation of the Uniform Manifold Approximation and Projection dimension reduction algorithm. The umap function takes two arguments, X (a column-major matrix of shape (n_features, n_samples)), n_components (the number of dimensions in the output embedding), and various keyword arguments. -
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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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HypothesisTests.jl
Hypothesis tests for Julia
HypothesisTests.jl is a Julia package that implements a wide range of hypothesis tests. -
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NeuralOperators.jl
DeepONets, Neural Operators, Physics-Informed Neural Ops in Julia
Neural operator is a novel deep learning architecture. It learns an operator, which is a mapping between infinite-dimensional function spaces. It can be used to resolve partial differential equations (PDE). Instead of solving by finite element method, a PDE problem can be resolved by training a neural network to learn an operator mapping from infinite-dimensional space (u, t) to infinite-dimensional space f(u, t). Neural operator learns a continuous function between two continuous function... -
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PowerSimulations.jl
Julia for optimization simulation and modeling of PowerSystems
PowerSimulations.jl is a Julia package for power system modeling and simulation of Power Systems operations. Provide a flexible modeling framework that can accommodate problems of different complexity and at different time scales. Streamline the construction of large-scale optimization problems to avoid repetition of work when adding/modifying model details. Exploit Julia's capabilities to improve computational performance of large-scale power system quasi-static simulations. The flexible... -
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patat
Terminal-based presentations using Pandoc
patat (Presentations Atop The ANSI Terminal) is a small tool that allows you to show presentations using only an ANSI terminal. It does not require ncurses. Leverages the great Pandoc library to support many input formats including Literate Haskell. Supports smart slide splitting. Slides can be split up into multiple fragments. There is a live reload mode. Theming support including 24-bit RGB. Auto advancing with configurable delay. Optionally re-wrapping text to terminal width with proper...
