Welcome to IANN’s documentation!
IANN (InterAtomic Neural Network Framework) is a equivariant interatomic neural network potential framework package for materials science and computational chemistry. It implements state-of-the-art graph neural network models for periodic and non-periodic systems, including FastPot, PaiNN, Nequip, MACE, and EquiformerV2, focusing on predicting energies and forces with high accuracy.
The code is available and actively maintained on GitHub. Users are encouraged to explore the repository for asking questions, or reporting issues.