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A package for managing simple chemical species and states

Project description

PyValem is a Python package for parsing, validating, manipulating and interpreting the chemical formulas, quantum states and labels of atoms, ions and small molecules.

Species and states are specfied as strings using a simple and flexible syntax, and may be compared, output in different formats and manipulated using a variety of predefined Python methods.

See https://github.com/xnx/pyvalem for documentation and more information.

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