Category:計算化学ソフトウェア

Winmostar

Gaussian (software)

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

Spartan (chemistry software)

CP2K

CHELPG

TURBOMOLE

Gabedit

MOLCAS