Category:計算化学ソフトウェア

Winmostar

Ribbon diagram

CP2K

Avogadro (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

CHELPG

Gabedit

MOLCAS

TURBOMOLE