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Pinned

  1. digital-chemistry-laboratory/morfeus digital-chemistry-laboratory/morfeus Public

    A Python package for calculating molecular features

    Python 152 27

  2. digital-chemistry-laboratory/libconeangle digital-chemistry-laboratory/libconeangle Public

    Library for calculating exact ligand cone angles

    Fortran 11 2

  3. digital-chemistry-laboratory/multiwfn-mac-build digital-chemistry-laboratory/multiwfn-mac-build Public

    A build recipe for Multiwfn on MacOS

    CMake 14 2

  4. digital-chemistry-laboratory/libdlfind digital-chemistry-laboratory/libdlfind Public

    libdlfind is a C-API and Python interface to the DL-FIND geometry optimization library

    Fortran 14 3