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1. xopt xopt Public

   eXternal OPTimizer for quantum chemistry

   Fortran 11 3

2. psi4 psi4 Public

   Forked from psi4/psi4

   Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python

   C++

3. cm5charges cm5charges Public

   computes CM5 charges from ORCA output

   Fortran 1 4

4. struca struca Public

   geometric structure analysis

   Fortran 4

5. fragmol fragmol Public

   automatic fragmentation of molecules

   Python 1

6. geotrafo geotrafo Public

   geometric transformations of molecular structures

   Python 1 1