https://www.vigyanwiki.in/index.php?action=history&feed=atom&title=Template%3AChemistry_software 2026-04-06T20:37:27Z Revision history for this page on the wiki MediaWiki 1.39.3 https://www.vigyanwiki.in/index.php?title=Template:Chemistry_software&diff=245707&oldid=prev 2023-08-16T05:42:53Z

<p>1 revision imported from <a href="https://alpha.indicwiki.in/index.php?title=Template:Chemistry_software" class="extiw" title="alpha:Template:Chemistry software">alpha:Template:Chemistry_software</a></p> <table style="background-color: #fff; color: #202122;" data-mw="interface"> <tr class="diff-title" lang="en-GB"> <td colspan="1" style="background-color: #fff; color: #202122; text-align: center;">← Older revision</td> <td colspan="1" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 11:12, 16 August 2023</td> </tr><tr><td colspan="2" class="diff-notice" lang="en-GB"><div class="mw-diff-empty">(No difference)</div> </td></tr></table>

Indicwiki https://www.vigyanwiki.in/index.php?title=Template:Chemistry_software&diff=245706&oldid=prev 2023-03-23T17:23:00Z

<p>Created page with &quot;{{Navbox | name = Chemistry software | title = <a href="/index.php?title=Computational_chemistry&amp;action=edit&amp;redlink=1" class="new" title="Computational chemistry (page does not exist)">Computational chemistry</a> software | state = {{{state|autocollapse}}} | listclass = hlist | group1 = C...&quot;</p> <p><b>New page</b></p><div>{{Navbox<br /> | name = Chemistry software<br /> | title = [[Computational chemistry]] software<br /> | state = {{{state|autocollapse}}}<br /> | listclass = hlist<br /> <br /> | group1 = [[Cheminformatics]]<br /> | list1 =<br /> {{Navbox|subgroup<br /> | group1 = [[Free software]]<br /> | list1 =<br /> * Avalon Cheminformatics Toolkit<br /> * [[Bioclipse]]<br /> * [[Blue Obelisk]]<br /> * [[Chemistry Development Kit]]<br /> * [[Extensible Computational Chemistry Environment|ECCE]]<br /> * [[JOELib]]<br /> * [[OELib]]<br /> * [[Open Babel]]<br /> * [[RDKit]]<br /> | group2 = [[Proprietary software|Proprietary]]<br /> | list2 =<br /> * [[Schrödinger (company)|Canvas]]<br /> * [[Chemicalize]]<br /> * [[Discovery Studio]]<br /> }}<br /> <br /> | group2 = [[Chemical kinetics]]<br /> | list2 =<br /> {{Navbox|subgroup<br /> | group1 = Free software<br /> | list1 =<br /> * [[APBS (software)|APBS]]<br /> * [[Cantera (software)|Cantera]]<br /> * [[Kinetic PreProcessor|KPP]]<br /> | group2 = Proprietary<br /> | list2 =<br /> * [[Autochem]]<br /> * [[Chemical WorkBench]]<br /> * [[CHEMKIN]]<br /> * [[COSILAB]]<br /> * [[DelPhi (software)|DelPhi]]<br /> * [[Khimera]]<br /> }}<br /> <br /> | group3 = [[Molecular modelling]] &lt;br /&gt; and &lt;br /&gt; [[Visualization (graphics)|visualization]]<br /> | list3 = [[List of molecular graphics systems]]<br /> {{Navbox|subgroup<br /> | group1 = Free software<br /> | list1 =<br /> * [[Ascalaph Designer]]<br /> * [[Avogadro (software)|Avogadro]]<br /> * [[BALL]]<br /> * [[Biskit]]<br /> * [[Gabedit]]<br /> * [[Ghemical]]<br /> * [[Jmol]]<br /> * [[Molekel]]<br /> * [[PyMOL]]<br /> * [[QuteMol]]<br /> * [[RasMol]]<br /> | group2 = Proprietary<br /> | list2 =<br /> * [[Abalone (molecular mechanics)|Abalone]]<br /> * [[ACD/ChemSketch]]<br /> * [[Atomistix ToolKit]]<br /> * [[ChemDraw]]<br /> * [[ChemWindow]]<br /> * [[EzMol]]<br /> * [[Gaussian (software)|Gaussian]]<br /> * [[Schrödinger (company)|Maestro]]<br /> * [[MarvinSketch]]<br /> * [[MarvinView]]<br /> * [[MODELLER]]<br /> * [[Molecular Operating Environment]]<br /> * [[SAMSON]]<br /> * [[Spartan (chemistry software)|Spartan]]<br /> * [[UCSF Chimera]]<br /> * [[Visual Molecular Dynamics|VMD]]<br /> }}<br /> <br /> | group4 = [[Docking (molecular)|Molecular docking]]<br /> | list4 = [[List of protein-ligand docking software]]<br /> {{Navbox|subgroup<br /> | group1 = [[Free software]]<br /> | list1 =<br /> * [[AutoDock]]<br /> * [[AutoDock Vina]]<br /> * [[FlexAID]]<br /> * [[rDock]]<br /> | group2 = [[Proprietary software|Proprietary]]<br /> | list2 =<br /> * [[Glide (docking)|Glide]]<br /> * [[LeDock]]<br /> * [[Molecular Operating Environment]]<br /> }}<br /> <br /> | group5 = [[Molecular dynamics]]<br /> | list5 =<br /> {{Navbox|subgroup<br /> | group1 = [[Free software]]<br /> | list1 =<br /> * [[CP2K]]<br /> * [[GROMACS]]<br /> * [[LAMMPS]]<br /> * [[OpenMM]]<br /> * [[PLUMED]]<br /> | group2 = [[Proprietary software|Proprietary]]<br /> | list2 =<br /> * [[Abalone (molecular mechanics)|Abalone]]<br /> * [[AMBER]]<br /> * [[CHARMM]]<br /> * [[Car–Parrinello molecular dynamics|CPMD]]<br /> * [[Desmond (software)|Desmond]]<br /> * [[GROMOS]]<br /> * [[NAMD]]<br /> }}<br /> <br /> | group6 = [[Quantum chemistry]]<br /> | list6 = [[List of quantum chemistry and solid-state physics software]]<br /> {{Navbox|subgroup<br /> | group1 = Free software<br /> | list1 =<br /> * [[ABINIT]]<br /> * [[ACES (computational chemistry)|ACES]] (CFOUR)<br /> * [[AIMAll]]<br /> * [[BigDFT]]<br /> * [[COLUMBUS]]<br /> * [[CONQUEST]]<br /> * [[CP2K]]<br /> * [[Dalton (program)|Dalton]]<br /> * [[Dirac (software)|DIRAC]]<br /> * [[DP code]]<br /> * [[FLEUR]]<br /> * [[FreeON]]<br /> * [[MADNESS]]<br /> * [[MPQC]]<br /> * [[NWChem]]<br /> * [[Octopus (software)|Octopus]]<br /> * [[MOLCAS|OpenMolcas]]<br /> * [[PARSEC]]<br /> * [[PSI (computational chemistry)|PSI]]<br /> * [[PyQuante]]<br /> * [[PySCF]]<br /> * [[Quantum ESPRESSO]] (PWscf)<br /> * [[RMG (program)|RMG]]<br /> * [[SIESTA (computer program)|SIESTA]]<br /> * [[Valence bond programs|VB2000]]<br /> * [[YAMBO code]]<br /> | group2 = Proprietary<br /> | list2 =<br /> * [[Amsterdam Density Functional|ADF]]<br /> * [[AMPAC]]<br /> * [[DMol3]]<br /> * [[CADPAC]]<br /> * [[CASINO]]<br /> * [[CASTEP]]<br /> * [[Car–Parrinello molecular dynamics|CPMD]]<br /> * [[Valence bond programs|CRUNCH]]<br /> * [[CRYSTAL (software)|CRYSTAL]]<br /> * [[Firefly (computer program)|Firefly]]<br /> * [[GAMESS (UK)]]<br /> * [[GAMESS (US)]]<br /> * [[Gaussian (software)|Gaussian]]<br /> * [[Jaguar (software)|Jaguar]]<br /> * [[MOLCAS]]<br /> * [[MOLPRO]]<br /> * [[MOPAC]]<br /> * [[ONETEP]]<br /> * [[OpenAtom]]<br /> * [[ORCA (quantum chemistry program)|ORCA]]<br /> * [[PLATO (computational chemistry)|PLATO]]<br /> * [[PQS (software)|PQS]]<br /> * [[Q-Chem]]<br /> * [[Quantemol]]<br /> * [[Scigress]]<br /> * [[Spartan (chemistry software)|Spartan]]<br /> * [[TeraChem]]<br /> * [[TURBOMOLE]]<br /> * [[Vienna Ab initio Simulation Package|VASP]]<br /> * [[WIEN2k]]<br /> * [[Valence bond programs|XMVB]]<br /> }}<br /> <br /> | group7 = [[Skeletal structure]] drawing<br /> | list7 =<br /> {{Navbox|subgroup<br /> | group1 = Free software<br /> | list1 =<br /> * [[JChemPaint]]<br /> * Molsketch<br /> * [[XDrawChem]]<br /> | group2 = Proprietary<br /> | list2 =<br /> * [[ACD/ChemSketch]]<br /> * [[ISIS/Draw|BIOVIA Draw]]<br /> * ChemDoodle<br /> * [[ChemDraw]]<br /> * [[ChemWindow]]<br /> * [[JME Molecule Editor]]<br /> * [[MarvinSketch]]<br /> }}<br /> <br /> | group8 = Others<br /> | list8 =<br /> * [[Aqion]]<br /> * [[Eulim]]<br /> * [[EXC code]]<br /> * GenX<br /> * GSim<br /> * [[Mercury (crystallography)|Mercury]]<br /> * [[CrystalExplorer]]<br /> * [[Internal Coordinate Mechanics|ICM]] (ICM-Browser)<br /> * [[Materials Studio]]<br /> * [[Molden]]<br /> * [[OpenChrom]]<br /> * SASHIMI<br /> }}&lt;noinclude&gt;<br /> {{Template documentation|content=<br /> {{collapsible option}}<br /> [[Category:Chemistry navigational boxes]]<br /> [[Category:Software navigational boxes]]<br /> }}&lt;/noinclude&gt;</div>

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