Category:計算化学ソフトウェア
HyperChem
CP2K
CP2K
Scigress
ScigressATOMCI
NTChem
AMPAC
AMPACDIRAC
Dirac (software)GAMESS
GAMESS
TANPAKU
Amsterdam Density Functional
Amsterdam Density Functional
CRYSTAL (ソフトウェア)
CRYSTAL (software)
Firefly (プログラム)
Firefly (computer program)
GAMESS (UK)
GAMESS (UK)
GAMESS (US)
GAMESS (US)
Open Babel
Open 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)
Quantum ESPRESSO
Quantum ESPRESSOVienna Ab initio Simulation Package
Vienna Ab initio Simulation PackageCHELPG
CHELPGGabedit
GabeditABINIT
ABINITMOLCAS
MOLCASTURBOMOLE
TURBOMOLESpartan
Spartan (chemistry software)
Avogadro
Avogadro (software)
リボンダイアグラム
Ribbon diagram