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