Open Source Chemistry Software

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Chemistry Software

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Browse free open source Chemistry software and projects for Windows and ChromeOS below. Use the toggles on the left to filter open source Chemistry software by OS, license, language, programming language, and project status.

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  • 1
    Gabedit is a Graphical User Interface for FireFly (PC-Gamess), Gamess-US, Gaussian, Molcas, Molpro, MPQC, NWChem, OpenMopac, Orca, PSI4 and Q-Chem computational chemistry packages.
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    4 Reviews
    Downloads: 126 This Week
    Last Update:
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  • 2
    Cantera
    Cantera is a suite of object-oriented software tools for problems involving chemical kinetics, thermodynamics, and/or transport processes. It can be used from MATLAB, Python, C++, or Fortran.
    Downloads: 27 This Week
    Last Update:
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  • 3
    Pysces

    Pysces

    PySCeS is the Python Simulator of Cellular Systems

    PySCeS is the Python Simulator of Cellular Systems. For a network of coupled reactions it does a stoichiometric matrix analysis, calculates the time course and steady state, and does a complete control analysis.
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    3 Reviews
    Downloads: 3 This Week
    Last Update:
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  • 4
    The Chemical Structures Project is a set of 3D structures of molecules in CML format. Each file contains also some physical properties, which can be access using a web browser or a CML file reader.
    1 Review
    Downloads: 1 This Week
    Last Update:
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  • 5
    Biological Network Analyzer
    Workbench for visualizing biological networks (regulatory, interaction, and metabolic). Can be used as a front-end for BNDB datawarehouses, but also as stand-alone tool.
    Downloads: 0 This Week
    Last Update:
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  • 6
    Source code for the Chemical Informatics and Cyberinfrastructure Collaboratory project.
    Downloads: 0 This Week
    Last Update:
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  • 7

    ChemClipse 3rd Party Libraries

    ChemClipse Third Party Libraries

    The ChemClipse 3rd Party Libraries are plug-ins which encapsulate the functionality of other open-source projects to be usable through Eclipse/OSGi bundles within the ChemClipse Rich Client Platform (RCP).
    Downloads: 0 This Week
    Last Update:
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  • 8
    Olex2 is visualisation software for small-molecule crystallography developed at Durham University/EPSRC. It provides comprehensive tools for crystallographic model manipulation for the end user and an extensible development framework for programmers. The project has been supported by Olexsys Ltd since 2010.
    6 Reviews
    Downloads: 0 This Week
    Last Update:
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  • 9
    Periodic Table Java Applet
    The Periodic Table via a simple Java applet. The official source repository is located at https://github.com/textbrowser.
    Downloads: 0 This Week
    Last Update:
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  • 10
    A Collection of STAR/CIF processing libraries and related tools, including sub-projects: AStar, TEStar and others...
    Downloads: 0 This Week
    Last Update:
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  • 11
    cca-forum
    Cca-forum unifies the Common Component Architecture tools and tutorial. It includes the CCA specifications, the Ccaffeine framework for HPC, and related tools. These support multilanguage scientific and parallel computing.
    1 Review
    Downloads: 0 This Week
    Last Update:
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  • 12
    The platestats software aims to provide a convenient solution for analyzing the results of biological assays performed in 96- and 384-well plates.
    Downloads: 0 This Week
    Last Update:
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