molecular_qm_util

Utilities for molecular electronic structure calculations with Simstack

Name		Name	Last commit message	Last commit date
Latest commit History 8 Commits
data		data
indigo_scripts		indigo_scripts
obabel_scripts		obabel_scripts
pubchempy_scripts		pubchempy_scripts
pymatgen_scripts		pymatgen_scripts
rd_kit_scripts		rd_kit_scripts
LICENSE		LICENSE
README.md		README.md
__init__.py		__init__.py
pyproject.toml		pyproject.toml

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