qcelemental
QCElemental is a resource module for quantum chemistry containing physical constants and periodic table data from NIST and molecule handlers.
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Summary
QCElemental is a resource module for quantum chemistry containing physical constants and periodic table data from NIST and molecule handlers.
Last Updated
Feb 18, 2026 at 18:58
License
BSD-3-Clause
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0
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0
GitHub Repository
https://github.com/MolSSI/QCElementalDocumentation
https://qcelemental.readthedocs.io/en/latest/