DScribe: Machine Learning Descriptors for Atomistic Systems

DScribe is a Python package (current version 2.1.2) designed for generating fixed-size numerical fingerprints, known as descriptors, from atomic structures. These descriptors are crucial for various applications in materials science, including machine learning, visualization, and similarity analysis. The library maintains an active development status with regular updates, including new descriptors and derivative functionalities. [1, 2, 5]