Similar to ATOMCI
 - ABINITABINIT
 - AMPACAMPAC
 - Amsterdam Density FunctionalAmsterdam Density Functional
 - CHELPGCHELPG
 - CP2KCP2K
 - CRYSTAL (ソフトウェア)CRYSTAL (software)
 - DIRACDirac (software)
 - Firefly (プログラム)Firefly (computer program)
 - GabeditGabedit
 - GAMESSGAMESS
 - GAMESS (UK)GAMESS (UK)
 - GAMESS (US)GAMESS (US)
 - GaussianGaussian (software)
 - HyperChem
 - MOLCASMOLCAS
 - NTChem
 - Open BabelOpen Babel
 - ORCA (量子化学プログラム)ORCA (quantum chemistry program)
 - PAICS
 - PSI (ソフトウェア)PSI (computational chemistry)
 - ScigressScigress
 - TURBOMOLETURBOMOLE
 - Quantum ESPRESSOQuantum ESPRESSO
- Vienna Ab initio Simulation PackageVienna Ab initio Simulation Package
 - AvogadroAvogadro (software)
- WinmostarWinmostar
 - SpartanSpartan (chemistry software)
 - TANPAKU