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2. Comparison of software for molecular mechanics modeling

   en.wikipedia.org/wiki/Comparison_of_software_for...

   Molecular building (DNA, proteins, hydrocarbons, nanotubes), molecular dynamics, GPU acceleration Mixed: free open source & commercial: Ascalaph Project: Avogadro: Yes Yes Yes No No No I No No Molecule building, editing (peptides, small molecules, crystals), conformational analysis, 2D/3D conversion; extensible interfaces to other tools

3. List of software for nanostructures modeling - Wikipedia

   en.wikipedia.org/wiki/List_of_software_for...

   Three dimensional molecular model of an all-carbon tubular fullerene. This is a list of notable computer programs that are used to model nanostructures at the levels of classical mechanics [1] and quantum mechanics. Furiousatoms [2] - a powerful software for molecular modelling and visualization; Aionics.io [3] - a powerful platform for ...

4. Spartan (chemistry software) - Wikipedia

   en.wikipedia.org/wiki/Spartan_(chemistry_software)

   Spartan is a molecular modelling and computational chemistry application from Wavefunction. [2] It contains code for molecular mechanics, semi-empirical methods, ab initio models, [3] density functional models, [4] post-Hartree–Fock models, [5] thermochemical recipes including G3(MP2) [6] and T1.

5. Molecular modelling - Wikipedia

   en.wikipedia.org/wiki/Molecular_modelling

   Molecular modelling encompasses all methods, theoretical and computational, used to model or mimic the behaviour of molecules. [1] The methods are used in the fields of computational chemistry, drug design, computational biology and materials science to study molecular systems ranging from small chemical systems to large biological molecules and material assemblies.

6. Snap! (programming language) - Wikipedia

   en.wikipedia.org/wiki/Snap!_(programming_language)

   (formerly Build Your Own Blocks) is a free block-based educational graphical programming language and online community. Snap allows students to explore, create, and remix interactive animations, games, stories, and more, while learning about mathematical and computational ideas. While inspired by Scratch, Snap! has many

7. Molecular model - Wikipedia

   en.wikipedia.org/wiki/Molecular_model

   The creation of mathematical models of molecular properties and behavior is referred to as molecular modeling, and their graphical depiction is referred to as molecular graphics. The term, "molecular model" refer to systems that contain one or more explicit atoms (although solvent atoms may be represented implicitly) and where nuclear structure ...

8. Materials Studio - Wikipedia

   en.wikipedia.org/wiki/Materials_Studio

   Materials Studio is software for simulating and modeling materials. It is developed and distributed by BIOVIA (formerly Accelrys), a firm specializing in research software for computational chemistry, bioinformatics, cheminformatics, molecular dynamics simulation, and quantum mechanics.

9. NAMD - Wikipedia

   en.wikipedia.org/wiki/NAMD

   Together with Visual Molecular Dynamics (VMD) and QwikMD, [5] NAMD's interface provides access to hybrid QM/MM simulations in an integrated, comprehensive, customizable, and easy-to-use suite. [ 6 ] NAMD is available as freeware for non-commercial use by individuals, academic institutions, and corporations for in-house business uses.