| Name | Versions |
| ProDy | prody |
| abinit | abinit-7.0.5 |
| abinit-7.10.5 | |
| adf | adf2017 |
| amber | amber10 |
| cfour | cfour |
| columbus | columbus-7.0 |
| cpmd | cpmd-3.13.2 |
| dftb+ | dftbp-negf |
| dftb+-1.2.2 | |
| dftbp-negf-mpi | |
| espresso | espresso-5.0.2 |
| espresso-5.1 | |
| espresso | espresso-6.2 |
| gamess | gamess-20110811 |
| gamess-uk | |
| firefly-8.0.0 | |
| gaussian | g09d01 |
| g09e01 | |
| gaussian | g16a03 |
| gromacs | gromacs-4.6.5 |
| gromacs-4.6.7 | |
| gromacs-5.0 | |
| gromacs-5.0.7 | |
| gromacs-5.0+dftb | |
| molcas | molcas7 |
| molcas8 | |
| molcas8.1 | |
| molcas8.1.15p | |
| molcas-v8.1.15-05-10 | |
| molpro | molpro-2012.1.0 |
| molpro | molpro-2015.1.18 |
| molpro-2015.1.24 | |
| mopac2016 | mopac2016 |
| multiwfn | multiwfn-3.3.5 |
| openmolcas | openmolcas |
| openmx | openmx3.8 |
| orca | orca3 |
| orca | orca4 |
| plumed | plumed-2.2.1 |
| siesta | siesta-3.2 |
| siesta-4.0 | |
| sysmo | sysmo |
| tinker | tinker |
| turbomole | turbomole7.0 |
| turbomole7.1 | |
| vasp | vasp46 |
| vasp52 | |
| vasp54 | |
| vasp | vasp544 |
| wannier90 | wannier90 |
| xmvb | xmvb30 |