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Ascalaph Designer

Molecular modelling

Ascalaph Designer Description
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 classical molecular modelling ORCA, NWChem, Firefly, CP2K and MDynaMix
. The molecular mechanics calculations cover model building, energy optimizations and molecular dynamics. Firefly (formerly named PC GAMESS) covers a wide range of quantum chemistry methods. Ascalaph Designer is free and open-source software, released under the GNU General Public License, version 2 (GPLv2).
A list below shows Ascalaph Designer alternatives which were either selected by us or voted for by users. You can filter this list by tags and platforms

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

Ascalaph Designer Alternatives

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    ITK is a cross-platform, open-source application development framework widely used for the development of image segmentation and image registration programs. Segmentation is the process of...

    Latest version of ITK is 4.11.0 and it was released on 2017-01-24.

    Tags: Computer Vision Software, Free Computer Libraries, Free Science Software, Free Software Programmed In C, Image Segmentation, Software Using The Apache License
  • JOELib by JOELib development team

    JOELib is computer software, a chemical expert system used mainly to interconvert chemical file formats. Because of its strong relationship to informatics, this program belongs more to the category...

    Latest version of JOELib is 2007-03-03 and it was released on 2007-03-03.

    Tags: Free Science Software, Free Software Programmed In Java, Computational Chemistry Software, Science Software For Linux
  • RasMol by Herbert J. Bernstein

    RasMol is a computer program written for molecular graphics visualization intended and used mainly to depict and explore biological macromolecule structures, such as those found in the Protein Data...

    Latest version of RasMol is 2.7.5.1 and it was released on 2009-07-17.

    Tags: Bioinformatics Software, Molecular Modelling Software, Free Science Software, Free Software Programmed In C, Free Educational Software
  • GenMAPP by Alexander Pico, Kristina Hanspers, Nathan Salomonis, Kam Dahlquist, Scott Doniger, Jeff Lawlor, Alex Zambon, Lynn Ferrante, Karen Vranizan, Steven C. Lawlor, Bruce Conklin

    GenMAPP (Gene Map Annotator and Pathway Profiler) is a free, open-source bioinformatics software tool designed to visualize and analyze genomic data in the context of pathways (metabolic,...

    Tags: Bioinformatics Software, Free Science Software, Systems Biology, Windowsonly Free Software
  • Coot by Paul Emsley,Kevin D. Cowtan

    The program Coot (Crystallographic Object-Oriented Toolkit) is used to display and manipulate atomic models of macromolecules, typically of proteins or nucleic acids, using 3D computer graphics. It...

    Latest version of Coot is 0.8.7 and it was released on 2016-11-08.

    Tags: Crystallography Software, Molecular Modelling Software, Bioinformatics Software, Free Science Software, Free Chemistry Software, Science Software That Uses Gtk, Science Software For Linux
  • Bioconductor

    Bioconductor is a free, open source and open development software project for the analysis and comprehension of genomic data generated by wet lab experiments in molecular biology. Bioconductor is...

    Latest version of Bioconductor is 3.5 and it was released on 2017-04-25.

    Tags: Bioinformatics Software, Free Bioinformatics Software, Free Science Software, Free R Software, Science Software For Macos, Science Software For Windows, Science Software For Linux
  • Virtual Cell

    Virtual Cell (VCell) is an open-source software platform for modeling and simulation of living organisms, primarily cells. It has been designed to be a tool for a wide range of scientists, from...

    Latest version of Virtual Cell is 6.1 and it was released on {{Start date and age|2017|04}}.

    Tags: Mathematical And Theoretical Biology, Systems Biology, Numerical Software, Numerical Differential Equations, Free Science Software
  • Orange by University of Ljubljana

    Orange is an open-source data visualization, machine learning and data mining toolkit. It features a visual programming front-end for explorative data analysis and interactive data visualization,...

    Latest version of Orange is 3.4.0 and it was released on 2017-03-06.

    Tags: Artificial Intelligence Applications, Crossplatform Free Software, Data Mining And Machine Learning Software, Data Visualization Software, Free Plotting Software, Free Science Software, Free Software Programmed In Python, Numerical Software, Science Software That Uses Qt, Software Using The Gpl License, Time Series Software
  • ND4S NDimensional Arrays for Scala

    ND4S is a free, open-source extension of the Scala programming language operating on the Java Virtual Machine - though it is compatible with both Java and Clojure. ND4S is a scientific computing...

    Latest version of ND4S: N-Dimensional Arrays for Scala is 0.7.2 and it was released on 2016-12-27.

    Tags: Array Programming Languages, Numerical Programming Languages, Data Mining And Machine Learning Software, Free Statistical Software, Java Platform, Java Programming Language Family, Jvm Programming Languages, Scala, Linear Algebra, Numerical Analysis, Computational Statistics, Artificial Neural Networks, Free Software Programmed In Java, Free Science Software, Numerical Analysis Software For Linux, Numerical Analysis Software For Macos, Numerical Analysis Software For Windows, Free Mathematics Software, Java Libraries, Numerical Software, Cluster Computing, Hadoop, Software Using The Apache License, Free Software Programmed In Scala
  • ND4J NDimensional Arrays for Java by Various

    ND4J is a scientific computing library, written in the programming language C++, operating on the Java virtual machine (JVM), and compatible with the languages Java, Scala, and Clojure. ND4J is for...

    Latest version of ND4J: N-Dimensional Arrays for Java is 0.5.0 and it was released on 2016-08-03.

    Tags: Array Programming Languages, Numerical Programming Languages, Data Mining And Machine Learning Software, Free Statistical Software, Java Platform, Java Programming Language Family, Jvm Programming Languages, Scala, Linear Algebra, Numerical Analysis, Computational Statistics, Artificial Neural Networks, Free Software Programmed In Java, Free Science Software, Numerical Analysis Software For Linux, Numerical Analysis Software For Macos, Numerical Analysis Software For Windows, Free Mathematics Software, Java Libraries, Numerical Software, Cluster Computing, Hadoop, Software Using The Apache License
  • HippoDraw by Paul F. Kunz

    HippoDraw is a powerful object oriented statistical data analysis package written in C++, with user interaction via a Qt-based GUI and a Python scriptable interface. It is being developed by Paul...

    Latest version of HippoDraw is 1.21.3 and it was released on {{Start date and age|2007|10}}.

    Tags: Data Analysis Software, Free Plotting Software, Free Science Software, Free Software Programmed In C, Free Software Projects, Free Statistical Software, Numerical Software, Physics Software, Science Software For Linux, Science Software For Macos, Science Software For Windows, Science Software That Uses Qt
  • Elmer FEM solver

    Elmer is computational tool for multi-physics problems. It has been developed by CSC in collaboration with Finnish universities, research laboratories and industry. Elmer FEM solver is free and...

    Latest version of Elmer FEM solver is 8.0 and it was released on 2015-05-05.

    Tags: Numerical Software, Free Computeraided Design Software, Finite Element Software For Linux, Free Software Programmed In Fortran, Free Science Software, Computational Physics, Engineering Software That Uses Qt, Computeraided Engineering Software For Linux, Software That Uses Tk
  • TPP by Institute for Systems Biology

    The Trans-Proteomic Pipeline (TPP) is an open-source data analysis software for proteomics developed at the Institute for Systems Biology (ISB) by the Ruedi Aebersold group under the Seattle...

    Latest version of TPP is 5.0.0 and it was released on 2016-10-11.

    Tags: Free Science Software, Bioinformatics Software, Mass Spectrometry Software, Proteomics, Health Sciences
  • ShelXle by Christian B. Hübschle

    The program ShelXle is a graphical user interface for the structure refinement program SHELXL. ShelXle combines an editor with syntax highlighting for the SHELXL-associated .ins (input) and .res...

    Latest version of ShelXle is 1.0.825 and it was released on 2017-01-28.

    Tags: Crystallography Software, Molecular Modelling Software, Bioinformatics Software, Free Science Software
  • QuteMol by ISTI,CNR

    QuteMol is an open source, interactive, molecular visualization system. QuteMol utilizes the current capabilities of modern GPUs through OpenGL shaders to offer an array of innovative visual...

    Latest version of QuteMol is 0.4.1 and it was released on 2007-06-06.

    Tags: Molecular Modelling Software, Free Science Software, Chemistry Software For Linux, Free 3d Graphics Software, Free Software Programmed In C, Bioinformatics Software, Software That Uses Wxwidgets
  • ProteoWizard

    ProteoWizard is a set of open-source, cross-platform tools and libraries for proteomics data analyses. It provides a framework for unified mass spectrometry data file access and performs standard...

    Tags: Free Science Software, Bioinformatics Software, Mass Spectrometry Software, Proteomics, Software Using The Apache License
  • LabKey Server by LabKey

    LabKey Server is free, open source software available for scientists to integrate, analyze, and share biomedical research data. The platform provides a secure data repository that allows web-based...

    Latest version of LabKey Server is 17.2 and it was released on 2017-07-14.

    Tags: Bioinformatics Software, Free Bioinformatics Software, Free Science Software, Mass Spectrometry Software, Proteomics, Science Software For Windows, Science Software For Linux, Science Software For Macos
  • OrbitVis

    Orbit-Vis is an orbit simulation program which is designed to allow users to simulate a satellite in any orbit around the Earth, and to give the user data on the position and motion of the satellite...

    Tags: Science Software For Windows, Astronomy Software, Free Software, Computational Astronomy, Free Science Software, Free Astronomy Software, Science Education Software, Computational Physics, Space Science, Physics Software
  • Marble by KDE

    Marble is a virtual globe application which allows the user to choose among the Earth, the Moon, Venus, Mars and other planets to display as a 3-D model. It is free software under the terms of the...

    Latest version of Marble is 2.2.0 (Part of KDE Applications 17.04) and it was released on 2018-12-04.

    Tags: 2006 Software, Astronomy Software, Earth Sciences Graphics Software, Educational Software For Linux, Educational Software For Macos, Educational Software For Windows, Free Educational Software, Free Science Software, Free Software Programmed In C, Geography Education Software, Kde Education Project, Keyhole Markup Language, Maps, Openstreetmap, Remote Sensing, Route Planning Software, Software That Uses Qt, Virtual Globes
  • GENtle by Magnus Manske

    GENtle is a free software under GPL...

    Latest version of GENtle is 1.9.0 and it was released on 2006-04-07.

    Tags: Bioinformatics Software, Free Science Software, Science Software For Linux, Software That Uses Wxwidgets
  • Biskit by Raik Grünberg, Johan Leckner, and others

    Biskit is an open source software package written in Python. The package facilitates research in Structural bioinformatics and molecular modelling. Biskit falls into two parts: * an Object-oriented...

    Tags: Bioinformatics Software, Molecular Modelling, Physics Software, Computational Chemistry Software, Free Science Software, Free Software Programmed In Python, Molecular Dynamics
  • AMPHORA by Martin Wu, Jonathan Eisen et al.

    AMPHORA ("AutoMated Phylogenomic infeRence Application") is an open-source bioinformatics workflow. AMPHORA2 uses 31 bacterial and 104 archaeal phylogenetic marker genes for inferring phylogenetic...

    Latest version of AMPHORA is 2.0 and it was released on 2013.

    Tags: Metagenomics Software, Bioinformatics Software, Free Bioinformatics Software, Computational Phylogenetics, Free Science Software
  • Giant Virus Finder by Csaba Kerepesi

    The Giant Virus Finder is a free bioinformatics software for finding giant viruses in...

    Tags: Metagenomics Software, Bioinformatics Software, Free Bioinformatics Software, Free Science Software
  • ROOT by CERN

    ROOT is an object-oriented program and library developed by CERN. It was originally designed for particle physics data analysis and contains several features specific to this field, but it is also...

    Latest version of ROOT is 6.10/04 and it was released on 2017-07-28.

    Tags: C Libraries, Data Analysis Software, Data Management Software, Experimental Particle Physics, Free Physics Software, Free Plotting Software, Free Science Software, Free Software Programmed In C, Numerical Software, Physics Software, Plotting Software
  • HMMER by Sean Eddy, Travis Wheeler, HMMER development team

    HMMER is a free and commonly used software package for sequence analysis written by Sean Eddy. Its general usage is to identify homologous protein or nucleotide sequences, and to perform sequence...

    Latest version of HMMER is 3.0 and it was released on 2010-03-28.

    Tags: Bioinformatics Software, Free Science Software, Free Software Programmed In C, Computational Science
  • OpenMS

    OpenMS is an open-source project for data analysis and processing in protein mass spectrometry and is released under the 3-clause BSD licence. It supports most common operating systems including...

    Latest version of OpenMS is 2.1.0 and it was released on 2016-11-22.

    Tags: Free Science Software, Bioinformatics Software, Mass Spectrometry Software, Proteomics, Software Using The Bsd License
  • UGENE by Unipro

    UGENE is computer software for bioinformatics. It works on desktop computer operating systems such as Windows, macOS, or Linux. It is released as free and open-source software, under a GNU General...

    Latest version of UGENE is 1.27 and it was released on 2017-08-23.

    Tags: Bioinformatics Software, Free Science Software, Free Software Programmed In C, Computational Science
  • XDrawChem

    XDrawChem is a free software program for drawing chemical structural formulas, available for Unix and macOS. It is distributed under the GNU GPL. In Microsoft Windows this program is called...

    Latest version of XDrawChem is 1.9.9 and it was released on 2005-11-30.

    Tags: Chemistry Software, Free Science Software, Free Software Programmed In C, Free Software Programmed In Fortran, Science Software That Uses Qt, Chemistry Software For Linux
  • Advanced Simulation Library

    Advanced Simulation Library (ASL) is free and open-source hardware-accelerated multiphysics simulation platform. It enables users to write customized numerical solvers in C++ and deploy them on a...

    Latest version of Advanced Simulation Library is 0.1.7 and it was released on 2016-11-09.

    Tags: Computational Chemistry Software, Computeraided Engineering Software For Linux, Software Using The Gnu Agpl License, Computational Fluid Dynamics, Free Science Software, Open Source Computer Aided Engineering Applications, Articles Containing Video Clips, Gpgpu, Numerical Libraries, C Libraries
  • FeatFlow CFD Solver by TU Dortmund, Inst. of Applied Mathematics and Numerics, LS3

    FeatFlow is a free and open-source high-performance computational fluid dynamics CFD code solving the incompressible Navier-Stokes equations in two and three dimensions. Unique for CFD codes,...

    Tags: Fortran, Fortran Software, Computational Fluid Dynamics, Computeraided Engineering Software, Computeraided Engineering Software For Linux, Continuum Mechanics, Finite Element Software, Finite Element Software For Linux, Fluid Dynamics, Free Science Software, Free Software Programmed In Fortran, Free Software, Linuxonly Software, Open Source Computer Aided Engineering Applications, Scientific Simulation Software
  • 3D Slicer

    3D Slicer (Slicer) is a free and open source software package for image analysis and scientific visualization. Slicer is used in a variety of medical applications, including autism, multiple...

    Latest version of 3D Slicer is 4.6.2 and it was released on 2016-11-08.

    Tags: Computer Vision Software, Free 3d Graphics Software, Free Bioimaging Software, Free Biovisualization Software, Free Dicom Software, Free Healthcare Software, Free Science Software, Free Software Programmed In C, Free Software Programmed In Java, Free Software Programmed In Python, Free Software Programmed In Tcl, Science Software For Linux, Science Software That Uses Qt
  • GIMIAS

    GIMIAS is a workflow-oriented environment focused on biomedical image computing and simulation. The open source framework is extensible through plug-ins and is focused on building research and...

    Latest version of GIMIAS is 1.5.r4 and it was released on {{Start date and age|2012|10}}.

    Tags: Computer Vision Software, Free 3d Graphics Software, Free Science Software, Free Software Programmed In C, Free Healthcare Software, Free Dicom Software, Free Bioimaging Software, Free Biovisualization Software, Free Biosimulation Software
  • Fityk by Marcin Wojdyr

    Fityk is a curve fitting and data analysis application, predominantly used to fit analytical, bell-shaped functions to experimental data. It is positioned to fill the gap between general plotting...

    Latest version of Fityk is 1.3.1 and it was released on 2016-12-19.

    Tags: 2004 Software, Data Analysis Software, Free Plotting Software, Free Science Software, Free Software Programmed In C, Free Software Projects, Regression And Curve Fitting Software, Software That Uses Wxwidgets
  • Natural Language Toolkit

    The Natural Language Toolkit, or more commonly NLTK, is a suite of libraries and programs for symbolic and statistical natural language processing (NLP) for English written in the Python programming...

    Latest version of Natural Language Toolkit is 3.2.3 and it was released on 2017-05-16.

    Tags: Data Analysis Software, Free Linguistic Software, Free Science Software, Free Software Programmed In Python, Natural Language Parsing, Natural Language Processing, Natural Language Processing Toolkits, Python Libraries, Statistical Natural Language Processing
  • VTK by Kitware Inc.

    The Visualization Toolkit (VTK) is an open-source, freely available software system for 3D computer graphics, image processing and visualization. VTK consists of a C++ class library and several...

    Latest version of VTK is 8.0.0 and it was released on 2017-06-26.

    Tags: Computer Vision Software, Free 3d Graphics Software, Free Biovisualization Software, Free Healthcare Software, Free Science Software, Free Software Programmed In C, Free Software Programmed In Java, Free Software Programmed In Perl, Free Software Programmed In Python, Free Software Programmed In Tcl, Software That Uses Qt, Software That Uses Tk, Software Using The Bsd License
  • The Grid Analysis and Display System by Center for Ocean-Land-Atmosphere Studies, Institute of Global Environment and Society, George Mason University

    The Grid Analysis and Display System (GrADS) is an interactive desktop tool that is used for easy access, manipulation, and visualization of earth science data. The format of the data may be either...

    Latest version of The Grid Analysis and Display System (GrADS) is 2.2.0 and it was released on 2017-09-05.

    Tags: Earth Sciences Graphics Software, Free Science Software, Graphic Software In Meteorology, Meteorological Data And Networks
  • MOEA Framework

    The MOEA Framework is an open-source evolutionary computation library for Java that specializes in multi-objective optimization. It supports a variety of multiobjective evolutionary algorithms...

    Latest version of MOEA Framework is 2.7 and it was released on 2015-12-11.

    Tags: Evolutionary Computation, Free Software Programmed In Java, Free Mathematics Software, Mathematical Optimization, Operations Research, Free Application Software, Free Science Software, Free Computer Libraries
  • 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
  • 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
  • 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
  • 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
  • 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
  • Desmond by D. E. Shaw Research

    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...

    Tags: 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
  • 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
  • Winmostar

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

    Tags: Molecular Dynamics 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
  • SWISSMODEL

    SWISS-MODEL is a structural bioinformatics web-server dedicated to homology modeling of protein 3D structures. Homology modeling is currently the most accurate method to generate reliable...

    Tags: Bioinformatics, Molecular Modelling Software
  • Molekel by Swiss National Supercomputing Centre

    Molekel is a free software multiplatform molecular visualization program. It was originally developed at the University of Geneva by Peter F. Flükiger in the 1990s for Silicon Graphics Computers. In...

    Latest version of Molekel is 5.4 and it was released on {{Start date and age|2009|08}}.

    Tags: Chemistry Software For Linux, Free Chemistry Software, Molecular Modelling Software, Science Software That Uses Qt
  • MesoBioNano Studio by MBN Research Center

    MBN Studio (MesoBioNano Studio) is a general-purpose computer program for molecular modeling and design, as well as for visualization and analysis of atomistic simulations data. It is written in the...

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

    Tags: Molecular Modelling Software, Molecular Modelling, Physics Software
  • LigandScout by Inte:Ligand GmbH

    LigandScout is computer software that allows creating three-dimensional (3D) pharmacophore models from structural data of macromolecule-ligand complexes, or from training and test sets of organic...

    Latest version of LigandScout is 4.0 and it was released on {{Start date and age|2016}}.

    Tags: Medicinal Chemistry, Molecular Modelling Software
  • Biochemical and Organic Simulation System by Jorgensen Research Group, Yale University

    Biochemical and Organic Simulation System (BOSS) is a general-purpose molecular modeling program that performs molecular mechanics calculations, Metropolis Monte Carlo statistical mechanics...

    Latest version of Biochemical and Organic Simulation System is 4.9 and it was released on {{Start date and age|2013|01}}.

    Tags: Molecular Modelling Software, Monte Carlo Molecular Modelling Software
  • VMD by University of Illinois at Urbana-Champaign

    Visual molecular dynamics (VMD) is a molecular modelling and visualization computer program. VMD is developed as mainly a tool to view and analyze the results of molecular dynamics simulations. It...

    Latest version of VMD is 1.9.3 and it was released on {{Start date and age|2016|11}}.

    Tags: Molecular Modelling Software
  • PyMOL by Schrödinger, Inc.

    PyMOL is computer software, a molecular visualization system created by Warren Lyford DeLano. It is user-sponsored, open-source software, released under the Python License. It was commercialized...

    Latest version of PyMOL is 1.8.6.2 and it was released on 2017-06-26.

    Tags: Articles Containing Video Clips, Chemistry Software For Linux, Free Chemistry Software, Molecular Modelling Software, Software That Uses Tk
  • CoNTub

    CoNTub is a software project written in Java which runs on Windows, Mac OS X, Linux and Unix Operating systems through any Java-enabled web browser. It is the first implementation of an algorithm...

    Latest version of CoNTub is 2.0 and it was released on {{release date and age |2011|09}}.

    Tags: Molecular Modelling Software, Freeware, Science Software, Java Platform Software
  • LIGPLOT by European Bioinformatics Institute

    In bioinformatics LIGPLOT is a computer program that generates schematic 2-D representations of protein-ligand complexes from standard Protein Data Bank file input. The LIGPLOT is used to generate...

    Tags: Molecular Modelling Software
  • MOE by Chemical Computing Group

    Molecular Operating Environment (MOE) is a drug discovery software platform that integrates visualization, modeling and simulations, as well as methodology development, in one package. MOE...

    Tags: Molecular Modelling Software, Chemistry Software For Linux, Computational Chemistry Software
  • Molden

    Molden is a general molecular and electronic structure processing...

    Latest version of Molden is 5.0.6 and it was released on 2013-04-09.

    Tags: Molecular Modelling Software, Computational Chemistry Software, Chemistry Software For Linux
  • Extensible Computational Chemistry Environment by Pacific Northwest National Laboratory

    The Extensible Computational Chemistry Environment (ECCE, pronounced "etch-ā") provides a sophisticated graphical user interface, scientific visualization tools, and the underlying data management...

    Latest version of Extensible Computational Chemistry Environment (ECCE) is 7.0 and it was released on 2013-08-01.

    Tags: Molecular Modelling Software, Computational Chemistry Software
  • Avogadro

    Avogadro is a molecule editor and visualizer designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It is extensible...

    Latest version of Avogadro is Avogadro 1.2 and it was released on 2016-06-15.

    Tags: Free Chemistry Software, Free Software Programmed In C, Molecular Modelling Software, Computational Chemistry Software, Science Software That Uses Qt, Chemistry Software For Linux
  • UCSF Chimera by Resource for Biocomputing, Visualization, and Informatics (RBVI), UCSF

    UCSF Chimera (or simply Chimera) is an extensible program for interactive visualization and analysis of molecular structures and related data, including density maps, supramolecular assemblies,...

    Latest version of UCSF Chimera is 1.11.2 and it was released on 2016-12-02.

    Tags: Bioinformatics Software, Freeware, Molecular Modelling Software, Science Software
  • Modeller by University of California, San Francisco,Accelrys

    Modeller, often stylized as MODELLER, is a computer program used for homology modeling to produce models of protein tertiary structures and quaternary structures (rarer). It implements a method...

    Latest version of Modeller is 9.19 and it was released on 2017-07-25.

    Tags: Molecular Modelling Software, Bioinformatics Software, Computational Biology
  • Jmol by Jmol development team

    Jmol is computer software for molecular modelling chemical structures in 3-dimensions. Jmol returns a 3D representation of a molecule that may be used as a teaching tool, or for research e.g., in...

    Tags: Bioinformatics Software, Chemistry Software For Linux, Free Chemistry Software, Free Software Programmed In Java, Molecular Modelling Software
  • BALL project by BALL project team

    BALL (pronounced "ball") is computer software consisting of the versatile C++ class framework Biochemical Algorithms Library (BALL), a set of algorithms and data structures for molecular modelling...

    Latest version of BALL project is 1.4.2 and it was released on 2013-01-28.

    Tags: C Libraries, Computational Chemistry Software, Molecular Modelling Software, Bioinformatics Software, Free Bioinformatics Software, Chemistry Software For Linux, Science Software That Uses Qt, Articles With Example C Code
  • WHAT IF by University of Groningen;,EMBL,Heidelberg;,CMBI,Radboud University Nijmegen;,Radboud University Nijmegen Medical Centre (Radboudumc),WHAT IF Foundation

    WHAT IF is a computer program used in a wide variety of computational (in silico) macromolecular structure research fields. The software provides a flexible environment to display, manipulate, and...

    Latest version of WHAT IF is 6.0 and it was released on {{Start date and age|2016|df=yes}}.

    Tags: Molecular Modelling Software, Bioinformatics Software, Protein Structure
  • Sirius by San Diego Supercomputer Center

    Sirius is a molecular modelling and analysis system developed at San Diego Supercomputer Center. Sirius is designed to support advanced user requirements that go beyond simple display of small...

    Latest version of Sirius is 1.2 and it was released on 2008-11-18.

    Tags: Molecular Modelling Software, Bioinformatics Software
  • Scigress by Fujitsu Limited

    Scigress, stylized SCiGRESS, is a software suite for molecular modelling, computational chemistry, drug design, and materials science, a successor to Computer Aided Chemistry (CAChe)...

    Latest version of Scigress is 2.7(3.2) and it was released on {{Start date and age|2016|05}}.

    Tags: Molecular Modelling Software, Computational Chemistry, Molecular Modelling, Bioinformatics Software, Physics Software, Computational Chemistry Software
  • eMovie by Israel Structural Proteomics Center

    eMovie is a plug-in for PyMOL that makes the creation of molecular movies both easy and intuitive via a breakthrough storyboard interface, similar in nature to what is used in the creation of...

    Tags: Molecular Modelling Software, Data Visualization Software, Bioinformatics Software
  • ICMBrowser by Molsoft LLC

    ICM-Browser is a free product of Molsoft, and provides access to structural biology data and protein families. It reads PDB or alignment files directly from online databases and provides a molecular...

    Latest version of ICM-Browser is 3.5-0 and it was released on February 21, 2007.

    Tags: Molecular Modelling Software, Computational Chemistry Software
  • RAPTOR by Bioinformatics Solutions Inc.

    RAPTOR is protein threading software used for protein structure prediction. It has been replaced by RaptorX, which is much more accurate than...

    Latest version of RAPTOR is 4.2 and it was released on {{Start date and age|2008|11}}.

    Tags: Bioinformatics Software, Molecular Modelling Software
  • Spartan by Wavefunction, Inc. & Q-Chem

    Spartan is a molecular modelling and computational chemistry application from Wavefunction. It contains code for molecular mechanics, semi-empirical methods, ab initio models, density functional...

    Latest version of Spartan is Spartan'16 and it was released on {{Start date and age|2016}}.

    Tags: Molecular Modelling Software, Computational Chemistry Software, Electronic Structure Methods, Monte Carlo Molecular Modelling Software