Category:Computational chemistry software

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Chemistry Portal

Subcategories

This category has the following 2 subcategories, out of 2 total.

M

  • Molecular dynamics software
  • Molecular modelling software

Pages in category "Computational chemistry software"

The following 60 pages are in this category, out of 60 total. Updates to this list can occasionally be delayed for a few days.

A

  • ABINIT
  • ACES (computational chemistry)
  • AMPAC
  • Amsterdam Density Functional
  • Atomistix
  • Atomistix ToolKit
  • Atomistix Virtual NanoLab

B

  • BALL

C

  • CADPAC
  • CASTEP
  • CHEMKIN
  • COLUMBUS
  • COSILAB
  • CRYSTAL
  • Car-Parrinello Molecular Dynamics
  • Cclib
  • Chemical file format
  • Chemistry Development Kit

D

  • DP code
  • Dalton (program)

E

  • EXC code
  • EXCITING

G

  • GAMESS (UK)
  • GAMESS (US)
  • GAUSSIAN
  • Gabedit
  • Ghemical

I

  • ICM-Browser
  • Internal Coordinate Mechanics

J

  • JAGUAR
  • JME Molecule Editor
  • JOELib

M

  • MAGMA (Molecular Animation, Graphics and Modeling Application framework)
  • MOLCAS
  • MOLPRO
  • MOPAC
  • MPQC
  • Materials Studio
  • Molden

N

  • NWChem
  • NanoLanguage

O

  • OELib
  • Octopus (software)
  • OpenBabel

P

  • PARSEC
  • PC GAMESS
  • PLATO (computational chemistry)
  • PQS (chemical)
  • PSI (computational chemistry)
  • PWscf

Q

  • Q-Chem
  • Quantum chemistry computer programs

S

  • SIESTA (computer program)
  • Software for molecular mechanics modeling

T

  • TURBOMOLE

V

  • Valence bond codes
  • Vienna Ab-initio Simulation Package
  • ViewMol3D
  • Visual Molecular Dynamics

W

  • WIEN2k
Categories: Computational chemistry | Chemistry software
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