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1. hartree-fock hartree-fock Public

   Hartree Fock method for Helium Lithium Beryllium using STO (Slator Type Orbital)

   Jupyter Notebook 2 7

2. aiqm/torchani aiqm/torchani Public

   TorchANI 2.0 is an open-source library that supports training, development, and research of ANI-style neural network interatomic potentials. It was originally developed and is currently maintained …

   Python 533 137