symgroupy

Last released Nov 20, 2024

symgroupy

pointgroup

Last released Sep 13, 2024

pointgroup module

posym

Last released Aug 30, 2024

posym module

phonoLAMMPS

Last released Aug 29, 2024

phonoLAMMPS module

dynaphopy

Last released Jul 23, 2024

dynaphopy module

pyqchem

Last released Jul 12, 2024

Python wrapper for Q-Chem

cosymlib

Last released Sep 1, 2023

Continuous measures of shape and symmetry

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