PyRank

Molecular Electronic Structure Python Packages

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

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

4K 170 58
theochem
iodata

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

150 170 58