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  1. MolSSI-Education/python-package-best-practices MolSSI-Education/python-package-best-practices Public

    Hands-on workshop showing good software development practices to create a Python package.

    Python 38 34

  2. WelbornGroup/ELECTRIC WelbornGroup/ELECTRIC Public

    ELECTRIC: Electric fields Leveraged from multipole Expansion Calculations in Tinker Rapid Interface Code.

    Arc 7 4

  3. Descriptor-Libraries/descriptor-libraries-framework Descriptor-Libraries/descriptor-libraries-framework Public

    A docker application for molecular libraries

    JavaScript 4 3

  4. iqb-2024 iqb-2024 Public

    Notebooks and environment set up for IQB 2024 workshop - Python for Molecular Docking

    Jupyter Notebook 49 31