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2. Avogadro (software) - Wikipedia

   en.wikipedia.org/wiki/Avogadro_(software)

   Molecule builder-editor for Windows, Linux, Unix, and macOS. All source code is licensed under the GNU General Public License (GPL) version 2. Supported languages include: Chinese, English, French, German, Italian, Russian, Spanish, and Polish. Supports multi-threaded rendering and computation.

3. List of computer-assisted organic synthesis software - Wikipedia

   en.wikipedia.org/wiki/List_of_computer-assisted...

   Computer-assisted organic synthesis software is a type of application software used in organic chemistry in tandem with computational chemistry to help facilitate the tasks of designing, predicting, and producing chemical reactions. CAOS aims to identify a series of chemical reactions which, from a starting compound, can produce a desired molecule.

4. Comparison of software for molecular mechanics modeling

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

   Free open source: Orac download page: NAMD + VMD: Yes Yes Yes Yes No Yes I Yes Yes Fast, parallel MD, CUDA Proprietary, free academic use, source code Beckman Institute: NWChem: No No Yes Yes No No Yes No No High-performance computational chemistry software, includes quantum mechanics, molecular dynamics and combined QM-MM methods

5. Molecular design software - Wikipedia

   en.wikipedia.org/wiki/Molecular_design_software

   Molecular design software is notable software for molecular modeling, that provides special support for developing molecular models de novo. In contrast to the usual molecular modeling programs, such as for molecular dynamics and quantum chemistry , such software directly supports the aspects related to constructing molecular models, including:

6. Nobel Prize in chemistry honors 3 scientists who used AI to ...

   lite.aol.com/news/world/story/0001/20241009/56f4...

   LONDON (AP) — Three scientists who discovered powerful techniques to decode and even design novel proteins — the building blocks of life — were awarded the Nobel Prize in chemistry Wednesday. Their work used advanced technologies, including artificial intelligence, and holds the potential to transform how new drugs and other materials are ...

7. 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] and thermochemical recipes including G3(MP2) [6] and T1. [7]