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Popular repositories Loading

  1. RHF- RHF- Public

    Restricted Hartree-Fock code. Takes the input parameters (atoms, geometries, integrals) specific to the molecular system from ACES2.

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  2. vt_theory_website vt_theory_website Public

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  3. SeQuant SeQuant Public

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    SeQuant: second quantization toolkit

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  4. pyscf pyscf Public

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    Python module for quantum chemistry

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  5. psi4 psi4 Public

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

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  6. ml4chem ml4chem Public

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    ML4Chem: Machine Learning for Chemistry and Materials

    Python