oniom

There are 4 repositories under oniom topic.

insilichem/garleek
:arrow_right_hook: QM/MM interfacing in Python :leftwards_arrow_with_hook:
Language:Python10 3 46
WMCSameeraGroup/pyqmmm
Python interface for subtractive QM/MM calculations with AMOEBA polarizable force field using Gaussian16 and Tinker.
Language:Python5 1 02
mrat1618/oniom-vmd-visualisation
Visualise Gaussian ONIOM inputs in VMD
Language:Python2 1 00
caricato-ku/Multi-State-Extrapolation
Program to extrapolate UV/Vis spectra from QM/QM excited state calculations
Language:Perl0 1 00