5 projects
autogamess
This is a python module for automating Raman calculations using GAMESS(us).
piimp
This is a Python package for post-processing ice irradiation data.
py-rap
This is a Python package for residue analysis.
autocp2k
This is a python module for automating CP2K calculations.
qmspy
This is a python module for analysing and graphing QMS data.
