Post #14708

#python fairchem is a centralized open-source library by FAIR Chemistry that provides advanced machine learning models, datasets, demos, and tools for materials science and quantum chemistry. You can install it via pip and use pretrained models through the FAIRChemCalculator with ASE, enabling tasks like catalysis, inorganic materials, molecules, MOFs, and molecular crystals. It supports simulations such as structure relaxation and molecular dynamics. Version 2 is a major update and not compatible with version 1 models. Using fairchem helps you quickly apply state-of-the-art AI models to accelerate research and discovery in chemistry and materials science[1][2][4][5]. https://github.com/facebookresearch/fairchem