Category:計算化学ソフトウェア

CP2K

Scigress

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

CHELPG

Gabedit

MOLCAS

TURBOMOLE

ABINIT

Spartan (chemistry software)

Winmostar

MOPAC