/tools/tqchem
tqchem
terra-quantum-public/tqchem
summary
The tqchem library is a Python tool designed for efficient manipulation and optimization of molecular structures. It allows users to perform high accuracy conformer optimization and convert molecular data formats, facilitating molecular design and analysis.
description
A Python library for efficient manipulation, conformer optimization, and molecular structure data.
topics
computational-chemistrymolecular-optimizationpythonscientificsmiles
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