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{{Short description|A classical molecular dynamics software}} '''XMD''' is a classical [[molecular dynamics]] software designed to ...

{{Infobox software ...|author=Hinsen K |title=The Molecular Modeling Toolkit: A New Approach to Molecular Simulations |year=2000 |journal=J. Comput. Chem. |volume=21 |issue=2 |pages ...

{{about|the software package|the trade association|Xplor International}} '''X-PLOR''' is a computer [[software]] package for computational structural biology originally developed by [[Ax ...

{{Infobox software | license = [[Proprietary software|Proprietary]]<ref>{{cite web |url =https://www.theochem.ru.nl/molden/CopyRi ...

...s, it is the application of the '''Metropolis Monte Carlo simulation''' to molecular systems. It is therefore also a particular subset of the more ...developed specifically for the use of the Metropolis Monte Carlo method on molecular simulations. These include: ...

* [[Harmony (toolkit)]], an incomplete set of software widgets * [[Molecular Modelling Toolkit]] ...

{{Infobox software |genre = [[Cheminformatics]], [[molecular modelling]] ...

{{Short description|Software for the visualisation of macromolecules}} {{Infobox software ...

{{Infobox software ...ch as [[Gaussian (software)|Gaussian]] and [[GAMESS]]: it is [[open-source software|open-source]], has an [[object-oriented]] design, and is created from the b ...

{{Infobox software |developer = Software for Chemistry & Materials ...

...mi-empirical]] method for the [[quantum chemistry|quantum]] calculation of molecular electronic structure in [[computational chemistry]]. It is based on the [[ ...as the starting points for parameterizations of forcefields in [[molecular modelling]]. ...

{{Short description|American molecular modelling software company}} | name = OpenEye Scientific Software ...

{{Short description|Danish software company}} industry = Nanotechnology software | ...

{{Infobox software | genre = [[Cheminformatics]], [[molecular modelling]] ...

...'''M'''odeling '''L'''anguage) is an [[XML]] application based on [[Graph Modelling Language|GML]] which is used for graph description. ...ake the graphs more easily exchangeable and readable by different graphing software.<ref name=":0">{{Cite book |last= |first= |url=https://books.google.com/boo ...

{{Infobox software | platform = Systems with [[Java (software platform)|Java]] and [[Web browser]]s without Java ...

...on|Computer program used to create and modify simulated representations of molecular structures}} ...used to build molecular models, usually as part of [[molecular modelling]] software packages. ...

{{Infobox software | genre = [[Molecular modelling]] ...

[[Image:Hardware-accelerated-molecular-modeling.png|thumb|Modeling of ionic liquid]] ...allest individual unit (a [[molecular mechanics]] approach), or explicitly modelling protons and neutrons with their quarks, anti-quarks and gluons and electron ...

...n [[stereochemistry]] and [[quantum chemistry]]. Another important area is molecular knot theory and [[circuit topology]] that describe the topology of folded l The basic [[mathematical model|model]]s for mathematical chemistry are [[molecular graph]] and [[topological index]]. ...