xnn.common.data#

Modules

ase_io

Read ASE-native structure data (extxyz, CIF, VASP, ...) into xnn.

atomic_data

The single data abstraction that flows through the whole library.

dataset

Datasets and graph batching.

hub

Dataset hub: HuggingFace load_dataset()-style one-liner loading.

neighborlist

Periodic-boundary-aware neighbor list.