Crate purr[−][src]
Primitives for reading and writing the Simplified Molecular Line Input Line Entry System (SMILES) language. Based on OpenSMILES. For goals and rationale, see:
Modules
feature | Common components used in |
graph | SMILES adjacency list representation. |
read | Reading SMILES representations from strings. |
walk | Traversal of an adjacency representation. |
write | Writing SMILES string representations. |