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Showing 4 open source projects for "cheminformatics"

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    MolecularGraph.jl

    MolecularGraph.jl

    Graph-based molecule modeling toolkit for cheminformatics

    MolecularGraph.jl is a graph-based molecule modeling and chemoinformatics analysis toolkit fully implemented in Julia.
    Downloads: 1 This Week
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  • 2
    luscus

    luscus

    molecular editor and viewer

    ...The program is developed as a graphical interface for MOLCAS program package, however it's adaptive nature makes possible using luscus with other computational program packages and chemical formats. If you use this program, please cite: G. Kovačević, V. Veryazov, J. Cheminformatics, 7 (2015) 1-10; DOI: 10.1186/s13321-015-0060-z
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    Downloads: 54 This Week
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  • 3
    JOELib/JOELib2 is a cheminformatics library which supports SMARTS substructure search, descriptor calculation, processing/filtering pipes, conversion of file formats, 100% pure Java, and interfaces to external programs (e.g. Ghemical) are available.
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    Downloads: 0 This Week
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  • 4
    This project was inspired existing cheminformatics APIs such as the CDK, Marvin, and Frowns. The goal of the project is to produce a full featured cheminfo api for the .Net framework. Early stage dev will focus on data structures and classes for file io.
    Downloads: 0 This Week
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