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webplotdigitizer

HTML5 based online tool to extract numerical data from plot images.

west

WEST code for GitHub - mirror of http://greatfire.uchicago.edu/west-public/West

westpy

WESTpy code for GitHub - mirror of http://greatfire.uchicago.edu/west-public/westpy

whole-tale

The Whole Tale - Merging Science and Cyberinfrastructure Pathway

widget-bandsplot

A Jupyter widget to plot bandstructure and density of states.

widget-code-input

A jupyter widget to allow input of a python function, with syntax highlighting

widget-jsmol

widget-periodictable

A jupyter widget to select chemical elements from the periodic table.

windows-containers

This repository is offered for tracking features and issues with Windows Containers. The Windows Containers product team will monitor this repo in order to engage with our community and discuss questions, customer scenarios, or feature requests.

winterface

Interface of Wannier90 with Quantum Transport.

workshop

The Materials Project Workshop Curriculum

workshop-july-2022

Deep Modeling for Molecular Simulation, two-day virtual workshop, July 7-8, 2022

workshop-template

world-universities-csv

List of all universities in the world in CSV

wsl

Issues found on WSL

xanadu-quantum-codebook

Learn quantum computing interactively with PennyLane

xbyak_aarch64

xgboost

Scalable, Portable and Distributed Gradient Boosting (GBDT, GBRT or GBM) Library, for Python, R, Java, Scala, C++ and more. Runs on single machine, Hadoop, Spark, Dask, Flink and DataFlow

xschem

A schematic editor for VLSI/Asic/Analog custom designs, netlist backends for VHDL, Spice and Verilog. The tool is focused on hierarchy and parametric designs, to maximize circuit reuse.

xsfconvert

'xsfconvert' is a modular code that allows to convert the output of different ab initio codes (VASP, TB-LMTO-ASA) into the xsf-format. This is the file format of the program 'XCrysDen', a powerful and easy to use visualization tool. This allows for an easy-to-handle and fast visualization of crystal structures and densities.

xtalopt

Official public repository for the XtalOpt crystallographic evolutionary algorithm

xtb

Semiempirical Extended Tight-Binding Program Package

yaac-another-awesome-cv

YAAC: Another Awesome CV is a template using Font Awesome and Adobe Source Font.

yaehmop

Yet Another extended Hueckel Molecular Orbital Package

yambo

This is the official GPL repository of the yambo code

yambo-aiida

Aiida Plugin and related Yambo development

yambo-libraries

Libraries derived from the Yambo source and transformed in independent packages

yambopy

Automatize yambo calculations using python scripts

yaoflux.jl

Differentiable programming on quantum circuits with Flux

zeobuilder

Zeobuilder is an extensible GUI-toolkit for molecular model construction.