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1. psi4 psi4 Public

   Forked from psi4/psi4

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

   C++

2. psi4_interaction_energy_cybershuttle psi4_interaction_energy_cybershuttle Public

   Forked from Awallace3/psi4_interaction_energy_cybershuttle

   This demo demonstrates how to run psi4 calculations on interaction energy datasets to then construct AP-Net models through HPC resources. While the specific example creates a poorly performing mode…

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