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Achievement: StarstruckAchievement: Pull SharkAchievement: Arctic Code Vault Contributor

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  1. fragmentation_algorithm fragmentation_algorithm Public

    Two algorithms to fragment molecules into specified molecular subunits (e.g. functional groups)

    Jupyter Notebook 20 3

  2. LongPathShutil LongPathShutil Public

    Drop-in replacement for shutil with long path support for Windows

    Python

  3. TUHH-TVT/openCOSMO-RS_cpp TUHH-TVT/openCOSMO-RS_cpp Public

    C++ 14 4

  4. MoleculeResolver/molecule-resolver MoleculeResolver/molecule-resolver Public

    Automagically resolve the best structure for molecules across several databases from identifiers

    Python 10 2

  5. TUHH-TVT/openCOSMO-RS_py TUHH-TVT/openCOSMO-RS_py Public

    Python 66 15

  6. TUHH-TVT/openCOSMO-RS_conformer_pipeline TUHH-TVT/openCOSMO-RS_conformer_pipeline Public

    Python 19 4