PyRank

Molecular Electronic Structure Python Packages

Python packages with the GitHub topic molecular-electronic-structure. Sorted by relevance, with stars and monthly downloads.
theochem
qc-iodata

Python library for reading, writing, and converting computational chemistry file formats and generating input files.

2K 163 54
theochem
iodata

Python library for reading, writing, and converting computational chemistry file formats and generating input files.

506 163 54