12 projects
cosymlib
Continuous measures of shape and symmetry
wfnsympy
wfnsympy module
symgroupy
symgroupy
huckelpy
Package to calculate the molecular orbitals with the extended huckel method
gromorg
Simple Gromacs python wrapper
posym
posym module
dynaphopy
dynaphopy module
phonoLAMMPS
phonoLAMMPS module
pyqchem
Python wrapper for Q-Chem
pointgroup
pointgroup module
kimonet
kimonet module
cuda_functions
cuda_functions module
