Express: a high-level, extensible workflow framework for accelerating ab initio calculations for the materials science community

Provides basic data structures and helpful functions for manipulating structures, generating input files, pre-running error checks, etc.

A Julia package for fitting the equation of state of solids, and more

Create any job from Julia functions

A simple workflow engine powered by Julia

A notation system in crystallography for lattice planes in crystal (Bravais) lattices

This package contains some basic functionalities of Crystallography.jl

Provides some crystallography operations

A Julia wrapper of Quantum ESPRESSO commands with configurations

Calculate linear elasticity for some crystals

Provides a common API that shared by some ab initio software

This package contains some core functionalities of Crystallography.jl

Format Quantum ESPRESSO input files

A Julia package for fitting the equations of state

A Julia package that provides operations of a database with pseudopotential datasets

A Julia-Python interface of https://github.com/MineralsCloud/qha

This package could handle the interaction with Quantum ESPRESSO software

Plotting recipes for equations of state

Parses the input/output files of Quantum ESPRESSO to extract data

A plugin of Express.jl for handling the ab initio software Quantum ESPRESSO

The command-line interface of Express.jl

A Julia package that can calculate the isentropic geotherm from thermodynamic properties

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Implements the basic functionalities of LinearElasticity.jl

Plotting crystal structures and relevant data obtained from CrystallographyBase.jl and Crystallography.jl

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