fig3

Figure 3. Atom-centered symmetry descriptors implemented in the DScribe library. (A) DScribe is a Python and C library for converting materials into descriptors for ML research, reprinted with permission^[22], Copyright 2019, Elsevier; (B) SOAP descriptor, reprinted with permission^[22], Copyright 2019, Elsevier; (C) ACSF descriptor, reprinted with permission^[22], Copyright 2019, Elsevier; (D) MBTR descriptor; (E) Valle-Oganov descriptor, reprinted with permission^[23], Copyright 2019, Elsevier and Copyright 2023, AIP Publishing. SOAP: Smooth overlap of atomic positions; ACSF: atom-centered symmetry functions; MBTR: many-body tensor representation.