/tools/qm9pack

qm9pack

raghurama123/qm9pack

20 stars4 forksPythonAdded February 5, 2026
summary

QM9PACK is a Python package designed for data-mining the QM9 dataset, which contains quantum chemistry structures and properties of a large number of molecules. It facilitates the extraction and analysis of molecular properties, making it a useful tool in computational chemistry.

description

A Python package for data-mining the QM9 dataset

topics

computational-chemistryqm9

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