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Pinned

  1. MolecularGraph.jl MolecularGraph.jl Public

    Graph-based molecule modeling toolkit for cheminformatics

    Julia 185 27

  2. MolecularGraph.jl_notebook MolecularGraph.jl_notebook Public

    Notebook tutorials for MolecularGraph.jl

    Jupyter Notebook 11 2

  3. coordgenlibs coordgenlibs Public

    Forked from schrodinger/coordgenlibs

    Schrodinger-developed 2D Coordinate Generation

    C++

  4. libinchi libinchi Public

    InChI fork for building InChI API library

    C

  5. similarity-network similarity-network Public

    D3.js-based web interface for similarity network visualization

    JavaScript

  6. pygosemsim pygosemsim Public

    Gene ontology (GO) semantic similarity library for Python

    Python 19 4