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@nextmovesoftware

NextMove Software

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  1. molhash molhash Public

    Create molecular hashes

    C++ 27 9

  2. smilesreading smilesreading Public

    SMILES reading benchmark

    Python 16 7

  3. similaritybenchmark similaritybenchmark Public

    Structural similarity benchmark

    Python 9 10

  4. ecfp ecfp Public

    Implementation of ECFP fingerprints

    C++ 3 3

  5. openbabel openbabel Public

    Forked from openbabel/openbabel

    Open Babel is a chemical toolbox designed to speak the many languages of chemical data.

    C++ 1

  6. UGM_2014 UGM_2014 Public

    Forked from rdkit/UGM_2014

    Materials from the 2014 RDKit UGM

    JavaScript 1

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