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Achievement: Starstruckx2Achievement: Pull SharkAchievement: Arctic Code Vault Contributor
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Pinned

  1. crem crem Public

    CReM: chemically reasonable mutations framework

    Jupyter Notebook 178 36

  2. pmapper pmapper Public

    3D pharmacophore signatures and fingerprints

    Python 94 23

  3. rdkit-scripts rdkit-scripts Public

    rdkit scripts making life easier

    Python 48 23

  4. spci spci Public

    Tool for mining structure-property relationships from chemical datasets

    Python 14 3

  5. sirms sirms Public

    Simplex representation of molecular structure - a chemoinformatic tool for calculation of simplex descriptors

    Python 12 9

  6. rspci rspci Public

    Analysis of fragments contributions calculated by SPCI software

    R 2 3