A parser for the analysis of chemical elements, formulas and equations.
SMILES (chemical formula) parser based on the OpenSMILES spec
A parser for simple chemical forumulas.
A SMILES parser following the OpenSMILES specification
Chemical formula parser that can handle wt% and nested structure
A library for reading chemical file formats
A Rust port of the Trajectory Next Generation (TNG) library
Primitives for reading and writing the SMILES language
Converts SMILES molecular notation into Prolog term representations for use in logic programming and inductive learning systems
Simple parser for the XYZ file format
Parser and formatter backend for CASTEP .cell/.param file formats
A parser for chemical formulas.