PyRank

Orca Quantum Chemistry Python Packages

Python packages with the GitHub topic orca-quantum-chemistry. Sorted by relevance, with stars and monthly downloads.
QChASM
aarontools

Python tools for automating routine tasks encountered when running quantum chemistry computations.

3K 59 9
pzarabadip
aiida-orca

AiiDA-Orca plugin

666 7 4
HTY-DBY
orcacal

test

542 12 1
HaoZeke
wailord

An ORCA helper in python

102 8 0