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1. VQE VQE Public

   Variational Quantum Eigensolver (VQE) from scratch on molecular hydrogen

   Jupyter Notebook 15 4

2. McMurchie-Davidson McMurchie-Davidson Public

   do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals

   Python 78 17

3. chem_interp chem_interp Public

   use interpretable machine learning to explain chemical reactions

   Python 11 3

4. rlci rlci Public

   reinforcement learning configuration interaction

   Python 8 1

5. pade pade Public

   do the Fourier transform using the method of Padé approximants

   Python 19 6

6. davidson davidson Public

   davidson iterative diagonalizer

   Python 8