/tools/ppqm

ppqm

ppqm/ppqm

77 stars17 forksPythonAdded February 5, 2026
summary

The ppqm package facilitates the integration of RDKit with various quantum chemistry software, allowing users to perform molecular property calculations and optimizations. It serves as a bridge for cheminformatics applications, enabling efficient quantum chemistry computations in Python.

description

Enable cheminformatics and quantum chemistry

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