Category:計算化学ソフトウェア

Avogadro (software)

CP2K

Gaussian (software)

Spartan (chemistry software)

Scigress

ABINIT

Ribbon diagram

AMPAC

Dirac (software)

GAMESS

Amsterdam Density Functional

CRYSTAL (software)

Firefly (computer program)

GAMESS (UK)

GAMESS (US)

Open Babel

ORCA (quantum chemistry program)

PSI (computational chemistry)

Quantum ESPRESSO

Vienna Ab initio Simulation Package

TURBOMOLE

CHELPG

MOPAC