Curated list of known efforts in materials informatics, i.e. in modern materials science

mechanoChemML library

Utilities for ab initio modeling suite CRYSTAL, developed in Turin University

A suite of scripts and modules that perform menial, tedious and repetitive tasks and operations on VASP files that were hurriedly and haphazardly put together by some intern.

A "sky-scanner" Optimade browser-only GUI

Code implementation of PolyCL

Tools for handling Wannier models with a spin operator, calculating the Wannier model quality and spin-texture plotting.

The optical properties of 2D materials with the VASP code

Basin-Hopping Monte Carlo (BHMC) algorithm coupled with density functional theory (Quantum espresso) package for unbiased global optimization of clusters and nanoparticles

Self-learning interest group for artificial intelligence and computational applied sciences