57 Open source projects that are alternatives of or similar to PWDFT.jl

Hartree Fock solver

A place where miscellaneous Julia-related graphics are stored. If you're looking for the official Julia logos and related graphics, visit https://github.com/juliaLang/julia-logo-graphics.

Julia package for the Apache ECharts v4 visualization library

Non-iterable ranges

QUICK: A GPU-enabled ab intio quantum chemistry software package

Welcome to DataFrames.jl with Bogumił Kamiński

Tools, utility, parsers useful in daily material science work

Robust, Fast, and Parallel Global Sensitivity Analysis (GSA) in Julia

Python Topological Materials (pytopomat) is a code for easy, high-throughput analysis of topological materials.

In silico chemical library engine for high-accuracy chemical property prediction

Sparse Gaussian Process Potentials

An efficient toolkit for chemical resonance analysis based on quantum chemistry calculations. It implements the quantitative theory of resonance by expansion of the wave function from a DFT/HF calculation in terms of those of the Lewis structures.

Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.

GPU-accelerated Quantum ESPRESSO using CUDA FORTRAN

Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code

QE-GIPAW for Quantum-Espresso (official repository)

Collection of ONCVPSP pseudopotentials for density-functional theory calculations

Domain specific library for electronic structure calculations

OpenAI's Gym binding for Julia

Facilities for using natural units with Unitful.jl

Development of SuiteSparse.jl, which ships as part of the Julia standard library.

Julia language support for Notepad++

基于Julia 1.0写李航博士《统计学习方法》

Efficient approximate k-nearest neighbors graph construction and search in Julia

A simple logging API for julia

Algorithms implemented in the Julia programming language. We're collaborating with the Humans of Julia community!

Implementations of stochastic optimization algorithms and solvers

This action sets up a Julia environment for use in actions by downloading a specified version of Julia and adding it to PATH.

deoplete.nvim source for julia. Providing julia Syntax Completions for julia, in Neovim (deprecated for julia 0.6+)

A face detection algorithm using Viola-Jones' rapid object detection framework written in Julia

Julia bindings for the fst format

https://lazarusa.github.io/BeautifulMakie/

Julia client for OmniSci GPU-accelerated SQL engine and analytics platform

Arcade Learning Environment (ALE) wrapped as a Reinforce.jl environment

Julia syntax highlighting for Sublime Text

Examples for Bayesian inference using DynamicHMC.jl and related packages.

XUnit.jl is a unit-testing framework for Julia.

Zero overhead game development library for the Julia programming language

Small exercises to get you used to reading and writing Julia code!

A native Julia code for lattice QCD with dynamical fermions in 4 dimension.

Faster closure variable capture

Repository for B0M36SPJ

Markov chain Monte Carlo solver for lattice spin systems implemented by Julialang

JuliaML bundled in a convenient all-in-one toolkit.

Making your benchmark of optimization algorithms simple and open

Common functional iterator patterns

Convert Pluto notebooks to HTML in automated workflows

Julia hybrid constraint programming solver enhanced by a reinforcement learning driven search.

JuliaLang version of "An Introduction to Statistical Learning: With Applications in R"

Faster sorting algorithms (sort and sortperm) for Julia

An easy-to-use, modular, extendable and absurdly fast Julia package for dynamical billiards in two dimensions.

A data-focused namespace for packages to share functions

OpenFermion plugin to interface with the electronic structure package PySCF.

Simulation of quantum systems on a lattice

quantum-dynamics-hub.github.io/libra/index.html

Unfolding the band structure of a supercell obtained with VASP

Python framework for generating and validating pseudo potentials