Pinned

1. xopt Public

   eXternal OPTimizer for quantum chemistry

   Fortran 8 3

2. psi4 Public

   Forked from psi4/psi4

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

   C++

3. cm5charges Public

   computes CM5 charges from ORCA output

   Fortran 1 1

4. struca Public

   geometric structure analysis

   Fortran 3

5. fragmol Public

   automatic fragmentation of molecules

   Python 1

6. geotrafo Public

   geometric transformations of molecular structures

   Python