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((Navbox
 | name      = Chemistry software
 | title     = [[Computational chemistry]] software
 | state     = (({state|autocollapse))}
 | listclass = hlist

 | group1    = [[Cheminformatics]]
 | list1     =
  ((Navbox|subgroup
  | group1 = [[Free software]]
  | list1  =
* Avalon Cheminformatics Toolkit
* [[Bioclipse]]
* [[Blue Obelisk]]
* [[Chemistry Development Kit]]
* [[Extensible Computational Chemistry Environment|ECCE]]
* [[JOELib]]
* [[OELib]]
* [[Open Babel]]
* [[RDKit]]
  | group2 = [[Proprietary software|Proprietary]]
  | list2  =
* [[Schrödinger (company)|Canvas]]
* [[Chemicalize]]
* [[Discovery Studio]]
  ))

 | group2    = [[Chemical kinetics]]
 | list2     =
  ((Navbox|subgroup
  | group1 = Free software
  | list1  =
* [[APBS (software)|APBS]]
* [[Cantera (software)|Cantera]]
* [[Kinetic PreProcessor|KPP]]
  | group2 = Proprietary
  | list2  =
* [[Autochem]]
* [[Chemical WorkBench]]
* [[CHEMKIN]]
* [[COSILAB]]
* [[DelPhi (software)|DelPhi]]
* [[Khimera]]
  ))

 | group3    = [[Molecular modelling]] <br /> and <br /> [[Visualization (graphics)|visualization]]
 | list3     = [[List of molecular graphics systems]]
  ((Navbox|subgroup
  | group1 = Free software
  | list1  =
* [[Ascalaph Designer]]
* [[Avogadro (software)|Avogadro]]
* [[BALL]]
* [[Biskit]]
* [[Gabedit]]
* [[Ghemical]]
* [[Jmol]]
* [[Molekel]]
* [[PyMOL]]
* [[QuteMol]]
* [[RasMol]]
  | group2 = Proprietary
  | list2  =
* [[Abalone (molecular mechanics)|Abalone]]
* [[ACD/ChemSketch]]
* [[Atomistix ToolKit]]
* [[ChemDraw]]
* [[ChemWindow]]
* [[EzMol]]
* [[Gaussian (software)|Gaussian]]
* [[Schrödinger (company)|Maestro]]
* [[MarvinSketch]]
* [[MarvinView]]
* [[MODELLER]]
* [[Molecular Operating Environment]]
* [[SAMSON]]
* [[Spartan (chemistry software)|Spartan]]
* [[UCSF Chimera]]
* [[Visual Molecular Dynamics|VMD]]
  ))

 | group4    = [[Docking (molecular)|Molecular docking]]
 | list4     = [[List of protein-ligand docking software]]
  ((Navbox|subgroup
  | group1 = [[Free software]]
  | list1  =
* [[AutoDock]]
* [[AutoDock Vina]]
* [[FlexAID]]
* [[rDock]]
  | group2 = [[Proprietary software|Proprietary]]
  | list2  =
* [[Glide (docking)|Glide]]
* [[LeDock]]
* [[Molecular Operating Environment]]
  ))

 | group5    = [[Molecular dynamics]]
 | list5     =
  ((Navbox|subgroup
  | group1 = [[Free software]]
  | list1  =
* [[CP2K]]
* [[GROMACS]]
* [[LAMMPS]]
* [[OpenMM]]
* [[PLUMED]]
  | group2 = [[Proprietary software|Proprietary]]
  | list2  =
* [[Abalone (molecular mechanics)|Abalone]]
* [[AMBER]]
* [[CHARMM]]
* [[Car–Parrinello molecular dynamics|CPMD]]
* [[Desmond (software)|Desmond]]
* [[GROMOS]]
* [[NAMD]]
  ))

 | group6    = [[Quantum chemistry]]
 | list6     = [[List of quantum chemistry and solid-state physics software]]
  ((Navbox|subgroup
  | group1 = Free software
  | list1  =
* [[ABINIT]]
* [[ACES (computational chemistry)|ACES]] (CFOUR)
* [[AIMAll]]
* [[BigDFT]]
* [[COLUMBUS]]
* [[CONQUEST]]
* [[CP2K]]
* [[Dalton (program)|Dalton]]
* [[Dirac (software)|DIRAC]]
* [[DP code]]
* [[FLEUR]]
* [[FreeON]]
* [[MADNESS]]
* [[MPQC]]
* [[NWChem]]
* [[Octopus (software)|Octopus]]
* [[MOLCAS|OpenMolcas]]
* [[PARSEC]]
* [[PSI (computational chemistry)|PSI]]
* [[PyQuante]]
* [[PySCF]]
* [[Quantum ESPRESSO]] (PWscf)
* [[RMG (program)|RMG]]
* [[SIESTA (computer program)|SIESTA]]
* [[Valence bond programs|VB2000]]
* [[YAMBO code]]
  | group2 = Proprietary
  | list2  =
* [[Amsterdam Density Functional|ADF]]
* [[AMPAC]]
* [[DMol3]]
* [[CADPAC]]
* [[CASINO]]
* [[CASTEP]]
* [[Car–Parrinello molecular dynamics|CPMD]]
* [[Valence bond programs|CRUNCH]]
* [[CRYSTAL (software)|CRYSTAL]]
* [[Firefly (computer program)|Firefly]]
* [[GAMESS (UK)]]
* [[GAMESS (US)]]
* [[Gaussian (software)|Gaussian]]
* [[Jaguar (software)|Jaguar]]
* [[MOLCAS]]
* [[MOLPRO]]
* [[MOPAC]]
* [[ONETEP]]
* [[OpenAtom]]
* [[ORCA (quantum chemistry program)|ORCA]]
* [[PLATO (computational chemistry)|PLATO]]
* [[PQS (software)|PQS]]
* [[Q-Chem]]
* [[Quantemol]]
* [[Scigress]]
* [[Spartan (chemistry software)|Spartan]]
* [[TeraChem]]
* [[TURBOMOLE]]
* [[Vienna Ab initio Simulation Package|VASP]]
* [[WIEN2k]]
* [[Valence bond programs|XMVB]]
  ))

 | group7    = [[Skeletal structure]] drawing
 | list7     =
  ((Navbox|subgroup
  | group1 = Free software
  | list1  =
* [[JChemPaint]]
* Molsketch
* [[XDrawChem]]
  | group2 = Proprietary
  | list2  =
* [[ACD/ChemSketch]]
* [[ISIS/Draw|BIOVIA Draw]]
* ChemDoodle
* [[ChemDraw]]
* [[ChemWindow]]
* [[JME Molecule Editor]]
* [[MarvinSketch]]
  ))

 | group8    = Others
 | list8     =
* [[Aqion]]
* [[Eulim]]
* [[EXC code]]
* GenX
* GSim
* [[Mercury (crystallography)|Mercury]]
* [[CrystalExplorer]]
* [[Internal Coordinate Mechanics|ICM]] (ICM-Browser)
* [[Materials Studio]]
* [[Molden]]
* [[OpenChrom]]
* SASHIMI
))<noinclude>
((Template documentation|content=
((collapsible option))
[[Category:Chemistry navigational boxes]]
[[Category:Software navigational boxes]]
))</noinclude>

Pages transcluded onto the current version of this page (help):

Template:Collapsible option (view source) (template editor protected)
Template:Documentation (view source) (template editor protected)
Template:Hlist/styles.css (view source) (protected)
Template:Navbox (view source) (template editor protected)
Template:Para (view source) (template editor protected)
Template:Param value (view source) (template editor protected)
Template:Replace (view source) (protected)
Template:Template documentation (view source) (semi-protected)
Template:Template other (view source) (protected)
Module:Arguments (view source) (protected)
Module:Color contrast (view source) (template editor protected)
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Module:Documentation (view source) (template editor protected)
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Module:Documentation/styles.css (view source) (template editor protected)
Module:Navbar (view source) (protected)
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Module:Navbar/styles.css (view source) (protected)
Module:Navbox (view source) (template editor protected)
Module:Navbox/configuration (view source) (template editor protected)
Module:Navbox/styles.css (view source) (template editor protected)
Module:String (view source) (protected)

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