Package for creating and optimizing lattice matched and domain matched epitaxial interfaces.

DFT modelling of Platinum oxide (PtO)

A highly flexible and customizable library for visualizing electronic structure data from VASP calculations.

New API client for the Materials Project

MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.

Cube File Toolkit for FHI-aims

FAIR Chemistry's library of machine learning methods for chemistry

Ogre: A Python Package for Molecular Crystal Surface Generation with Applications to Surface Energy and Crystal Habit Prediction