Fig. 1: The analogy between simplified molecular-input line-entry system (SMILES) and simplified line-input crystal-encoding system (SLICES). | Nature Communications

Fig. 1: The analogy between simplified molecular-input line-entry system (SMILES) and simplified line-input crystal-encoding system (SLICES).

From: An invertible, invariant crystal representation for inverse design of solid-state materials using generative deep learning

Fig. 1

a The molecular graph serves as an intermediary to translate between molecules and SMILES strings. b Likewise, the labeled quotient graph serves as an intermediary to translate between crystal structures and SLICES strings.

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