Get Alternative find best software

Desmond

Computational chemistry

Desmond Description
Desmond is a software package developed at D. E. Shaw Research to perform high-speed molecular dynamics simulations of biological systems on conventional computer clusters. The code uses novel parallel algorithms and numerical methods to achieve high performance on platforms containing a large number of processors, but may also be executed on a single computer.
The core and source code are available at no cost for non-commercial use by universities and other not-for-profit research institutions, and have been used in the Folding@home distributed computing project. Desmond is available as commercial software through Schrödinger, Inc.
A list below shows Desmond alternatives which were either selected by us or voted for by users. You can filter this list by tags and platforms

Desmond Alternatives

  • GROMOS by Wilfred van Gunsteren. Philippe Hünenberger, Sereina Riniker, Chris Oostenbrink

    GROMOS is the name of a force field for molecular dynamics simulation, and a related computer software package. Both are developed at the University of Groningen, and at the Computer-Aided Chemistry...

    Latest version of GROMOS is GROMOS 11 v1.3.0 and it was released on {{Start date and age|2011|05|df=yes}}.

    Tags: C Software, Fortran Software, Molecular Dynamics Software, Force Fields
  • Assisted Model Building with Energy Refinement by University of California, San Francisco

    Assisted Model Building with Energy Refinement (AMBER) is a family of force fields for molecular dynamics of biomolecules originally developed by Peter Kollman's group at the University of...

    Latest version of Assisted Model Building with Energy Refinement (AMBER) is Amber16, AmberTools17 and it was released on 2017-04-17.

    Tags: Fortran Software, Molecular Dynamics Software, Force Fields
  • CHARMM by Martin Karplus,Accelrys

    Chemistry at Harvard Macromolecular Mechanics (CHARMM) is the name of a widely used set of force fields for molecular dynamics, and the name for the molecular dynamics simulation and analysis...

    Latest version of CHARMM is c40b1, c40b2 and it was released on {{Start date and age|2015|df=yes}}.

    Tags: Molecular Dynamics Software, Force Fields, Fortran Software, Harvard University
  • Yet Another Scientific Artificial Reality Application by YASARA Biosciences,WHAT IF Foundation,Spronk NMR Consultancy

    Yet Another Scientific Artificial Reality Application (YASARA) is a computer program for molecular visualising, modelling, and dynamics. It has many scientific uses, as expressed by the large number...

    Latest version of Yet Another Scientific Artificial Reality Application is 16.7.22 and it was released on 2016-07-22.

    Tags: Molecular Modelling Software, Molecular Dynamics Software
  • TREMOLOX

    TREMOLO-X is a software package used for the numerical simulation of interactions between atoms and molecules, the molecular dynamics. TREMOLO-X was originally developed at the Institute for...

    Tags: Molecular Dynamics Software
  • MacroModel by Schrödinger, LLC

    MacroModel is a computer program for molecular modelling of organic compounds and biopolymers. It features various chemistry force fields, plus energy minimizing algorithms, to predict geometry and...

    Latest version of MacroModel is 11.3 and it was released on {{Start date and age|2016|03}}.

    Tags: Molecular Modelling Software, Molecular Dynamics Software
  • Orac by CEA, Saclay, Paris, FR; Florence University, IT

    In computer software, Orac is a classical molecular dynamics program, to simulate complex molecular systems at the atomistic level. In 1989-1990, the code was written originally by Massimo Marchi...

    Latest version of Orac is 5.4.1 and it was released on {{Start date and age|2010}}.

    Tags: Fortran Software, Molecular Dynamics Software
  • MMTK

    The Molecular Modelling Toolkit (MMTK) is an open-source software package written in Python, which performs common tasks in molecular modelling. , MMTK consists of about 18,000 lines of Python...

    Latest version of MMTK is 2.7.4 and it was released on 2011-04-28.

    Tags: Molecular Modelling Software, Molecular Dynamics Software, Python Software
  • MesoBioNano Explorer by MBN Research Center

    MBN Explorer (MesoBioNano Explorer) is a software package for molecular dynamics simulations, structure optimization and kinetic Monte Carlo simulations. It is designed for computational analysis of...

    Latest version of MesoBioNano Explorer is 3.0 and it was released on 2017-03-31.

    Tags: Molecular Dynamics Software, Molecular Modelling Software, Physics Software
  • GROMACS by University of Groningen,Royal Institute of Technology,Uppsala University

    GROningen MAchine for Chemical Simulations (GROMACS) is a molecular dynamics package mainly designed for simulations of proteins, lipids and nucleic acids. It was originally developed in the...

    Latest version of GROMACS is 2016.3 and it was released on 2017-03-14.

    Tags: Molecular Dynamics Software, Free Software Programmed In C
  • Tinker by Jay Ponder Lab, Department of Chemistry, Washington University in St. Louis; Pengyu Ren Lab, Department of Biomedical Engineering, the University of Texas at Austin; Jean-Philip Piquemal Pierre and Marie Curie University

    Tinker, stylized as TINKER, is a computer software application for molecular dynamics simulation with a complete and general package for molecular mechanics and molecular dynamics, with some special...

    Latest version of Tinker is 8.1.2 and it was released on 2017-02-17.

    Tags: Science Software, Molecular Dynamics Software, Monte Carlo Molecular Modelling Software, Washington University In St Louis
  • Q by The Q development team at Uppsala University,Sweden,Uppsala Molekylmekaniska HB

    Q is a computer software package for molecular dynamics (MD) simulation (current release: Q6). Unlike other MD codes, it has specialized since its conception (Marelius et al. 1998) on three specific...

    Latest version of Q is 6.0 and it was released on {{Start date and age|2017}}.

    Tags: Molecular Dynamics Software
  • Nanoscale Molecular Dynamics by University of Illinois at Urbana-Champaign: Theoretical and Computational Biophysics Group (TCB), Parallel Programming Laboratory (PPL)

    Nanoscale Molecular Dynamics (NAMD, formerly Not Another Molecular Dynamics Program) is computer software for molecular dynamics simulation, written using the Charm++ parallel programming model. It...

    Latest version of Nanoscale Molecular Dynamics is 2.11 and it was released on 2015-12-22.

    Tags: Molecular Dynamics Software, Free Science Software
  • Ascalaph Designer by Agile Molecule

    Ascalaph Designer is a computer program for general purpose molecular modelling for molecular design and simulations. It provides a graphical environment for the common programs of quantum and...

    Latest version of Ascalaph Designer is 1.8.94 and it was released on 2015-12-03.

    Tags: Molecular Modelling Software, Molecular Dynamics Software, Free Science Software
  • Foldinghome by Pande Laboratory, Sony,Nvidia,ATI, Cauldron Development

    Folding@home (FAH or F@h) is a distributed computing project for disease research that simulates protein folding, computational drug design, and other types of molecular dynamics. The project uses...

    Latest version of Folding@home is 7.4.4 and it was released on 2014-03-19.

    Tags: Computerrelated Introductions In 2000, Bioinformatics, Computational Biology, Computational Chemistry, Crossplatform Software, Data Mining And Machine Learning Software, Distributed Computing Projects, Hidden Markov Models, Mathematical And Theoretical Biology, Molecular Dynamics Software, Molecular Modelling, Molecular Modelling Software, Playstation 3 Software, Proprietary Crossplatform Software, Protein Folds, Protein Structure, Simulation Software, Stanford University, Medical Technology, Medical Research Organizations, Science Software For Linux, Science Software For Macos, Science Software For Windows
  • Molecular Dynamics of Mixtures by Stockholm University, Department of Materials and Environmental Chemistry, Division of Physical Chemistry

    Molecular Dynamics of Mixtures (MDynaMix) is a computer software package for general purpose molecular dynamics to simulate mixtures of molecules, interacting by AMBER- and CHARMM-like force fields...

    Latest version of Molecular Dynamics of Mixtures is 5.2.7 and it was released on 2015-01-31.

    Tags: Molecular Dynamics Software, Free Science Software, Free Software Programmed In C, Free Software Programmed In Fortran
  • Largescale AtomicMolecular Massively Parallel Simulator by Sandia National Laboratories,Temple University

    Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) is a molecular dynamics program from Sandia National Laboratories. LAMMPS makes use of Message Passing Interface (MPI) for parallel...

    Latest version of Large-scale Atomic/Molecular Massively Parallel Simulator is 11 Aug 2017 and it was released on 2017-08-11.

    Tags: Molecular Dynamics Software, Free Science Software
  • Winmostar

    Winmostar is a molecular modelling and visualisation software program that computes quantum chemistry, molecular dynamics, and solid...

    Tags: Molecular Dynamics Software
  • SHARC

    SHARC (Surface Hopping including ARbitrary Couplings) is an ab initio molecular dynamics program suite primarily dedicated to study the excited-state dynamics of molecules. It is free for academic...

    Latest version of SHARC is 1.0 and it was released on 2014-10-20..

    Tags: Molecular Dynamics Software, Free Science Software
  • Abalone by Agile Molecule

    Abalone is a general purpose molecular dynamics and molecular graphics program for simulations of bio-molecules in a periodic boundary conditions in explicit (flexible SPC water model) or in...

    Latest version of Abalone is 1.9.0 and it was released on 2016-05-17.

    Tags: Science Software, Molecular Modelling Software, Molecular Dynamics Software, Monte Carlo Software, Bioinformatics Software, Computational Chemistry Software
  • Avizo

    Avizo (pronounce: ‘a-VEE-zo’) is a general-purpose commercial software application for scientific and industrial data visualization and analysis. Avizo is developed by FEI Visualization Sciences...

    Latest version of Avizo is 9.2 and it was released on {{Start date and age|2016|07}}.

    Tags: 3d Graphics Software, 3d Imaging, Computational Fluid Dynamics, Computer Vision Software, Data Visualization Software, Earth Sciences Graphics Software, Graphics Software, Image Processing Software, Image Segmentation, Mesh Generators, Molecular Dynamics Software, Molecular Modelling Software, Nondestructive Testing, Physics Software, Science Software, Simulation Software, Software That Uses Qt, Virtual Reality
  • ADF Info by Scientific Computing & Modelling

    Amsterdam Density Functional (ADF) is a program for first-principles electronic structure calculations that makes use of density functional theory (DFT). ADF was first developed in the early...

    Latest version of ADF Info is 2017.106 and it was released on June 2017.

    Tags: Computational Chemistry Software, Molecular Modelling Software, Molecular Dynamics Software, Density Functional Theory Software