posym

Last released Sep 1, 2023

posym module

cosymlib

Last released Sep 1, 2023

Continuous measures of shape and symmetry

pyqchem

Last released Jun 21, 2023

Python wrapper for Q-Chem

phonoLAMMPS

Last released Jun 15, 2023

phonoLAMMPS module

pointgroup

Last released Jun 7, 2023

pointgroup module

dynaphopy

Last released Apr 3, 2023

dynaphopy module

symgroupy

Last released Nov 8, 2022

symgroupy

wfnsympy

Last released Jul 4, 2022

wfnsympy

kimonet

Last released May 9, 2022

kimonet module

huckelpy

Last released Mar 30, 2022

Package to calculate the molecular orbitals with the extended huckel method

gromorg

Last released Nov 18, 2021

Simple Gromacs python wrapper

cuda_functions

Last released Sep 8, 2017

cuda_functions module