5 projects
chemdiagrams
Publication-quality reaction energy diagrams for computational chemistry
AtomsPlotter
Package for easy plotting of ASE atoms using matplotlib
tools4vasp
Python tools for VASP
onyx2moodle
Convert ONYX QTI 2.1 question exports (OPAL/BPS) to Moodle XML, including qtype_stack for Maxima-graded items.
orcatools
Python tools for ORCA
