Category:計算化学ソフトウェア

Gaussian (software)

Winmostar

Scigress

ABINIT

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

CP2K

MOPAC

CHELPG

Gabedit

MOLCAS