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

   A Python package for calculating molecular features

   Python 164 27

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

   Library for calculating exact ligand cone angles

   Fortran 12 1

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

   A build recipe for Multiwfn on MacOS

   CMake 21 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 16 4