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  2. Comparison of software for molecular mechanics modeling

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

    Proprietary, commercial or gratis fold.it download page Archived 2011-04-04 at the Wayback Machine: FoldX: I Yes Yes No No No No No No Energy calculations, protein design Proprietary, commercial or gratis CRG: GROMACS: No No Yes Yes No [2] Yes I Yes [3] Yes High performance MD Free open source GNU GPL: gromacs.org: GROMOS: No No Yes Yes Yes Yes ...

  3. List of free and open-source software packages - Wikipedia

    en.wikipedia.org/wiki/List_of_free_and_open...

    This is a list of free and open-source software (FOSS) packages, computer software licensed under free software licenses and open-source licenses.Software that fits the Free Software Definition may be more appropriately called free software; the GNU project in particular objects to their works being referred to as open-source. [1]

  4. 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.

  5. 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 .

  6. List of software for nanostructures modeling - Wikipedia

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

    Ninithi – carbon nanotube, graphene, and Fullerene modelling software; Materials Design MedeA [13] Materials Studio; Materials Square [14] - a cloud-based materials simulation web platform, provides GUI for Quantum Espresso, LAMMPS, and Open Calphad; MBN Explorer and MBN Studio [15] [16] MD-kMC [17] PARCAS [18] [19] [20] – Open source ...

  7. Google DeepMind AI reveals potential for thousands of new ...

    www.aol.com/news/google-deepmind-ai-reveals...

    Google DeepMind has used artificial intelligence (AI) to predict the structure of more than 2 million new materials, a breakthrough it said could soon be used to improve real-world technologies.

  8. List of finite element software packages - Wikipedia

    en.wikipedia.org/wiki/List_of_finite_element...

    Free: Linux, MacOS, Windows, Solaris: GOMA: GOMA is an open-source, parallel, and scalable multiphysics software package for modeling and simulation of real-life physical processes, with a basis in computational fluid dynamics for problems with evolving geometry. Sandia National Laboratories, University of New Mexico: 6.1: Aug 28, 2015: GPL ...

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