Quick Uncertainty and Entropy from STructural Similarity (QUESTS)

QUESTS (Quick Uncertainty and Entropy via STructural Similarity) is a Python library providing model-free uncertainty and entropy estimation methods for interatomic potentials. It employs a structural descriptor and information-theoretical strategy that is fast to compute, relying only on distances between atoms within an environment. The library is actively maintained, with its latest version being 2026.2.22, and supports Python 3.8 and newer. It's primarily used for analyzing datasets in atomistic machine learning, offering metrics like dataset entropy, diversity, and information gap.