Stars
Python framework for generating and validating pseudo potentials
Optimize Julia Functions With MLIR and XLA for High-Performance Execution on CPU, GPU, TPU and more.
Implementation of a language-level autograd compiler
Julia package for studying electron-phonon coupling
Error-informed Gaussian process regression for atomistic materials modeling with uncertainty quantification
Crystal Toolkit is a framework for building web apps for materials science and is currently powering the new Materials Project website.
The best way to write secure and reliable applications. Write nothing; deploy nowhere.
colorschemes, colormaps, gradients, and palettes
A simple Julia package to split Pluto notebooks that contain both a statement and a solution, so that a statement and a solution notebook can be generated from the same source.
Inexact Krylov methods for linear response in plane-wave electronic structure calculations
Web page with basic examples showing how to use makie in julia
Official implementation of MatterGen -- a generative model for inorganic materials design across the periodic table that can be fine-tuned to steer the generation towards a wide range of property c…
C library for finding and handling crystal symmetries
MatterSim: A deep learning atomistic model across elements, temperatures and pressures.
A Julia interface for working with vector like objects
Krylov methods for linear problems, eigenvalues, singular values and matrix functions
ORB forcefield models from Orbital Materials
Material for the EPFL course MATH-500
Interactive data visualizations and plotting in Julia
A framework for out-of-core and parallel execution
Finite element methods for electronic structure calculations on small systems