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1. psi4/psi4psi4/psi4Public

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

   C++ 1k 458

2. qcdbqcdbPublic

   Databases and Interoperability in Quantum Chemistry

   Python 13 6

3. pylibefppylibefpPublic

   python wrapper to I. Kaliman's libefp for effective fragment potentials

   Python 2

4. MolSSI/QCElementalMolSSI/QCElementalPublic

   Periodic table, physical constants, and molecule parsing for quantum chemistry.

   Python 159 72