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Differentiable Quantum Chemistry (only Differentiable Density Functional Theory and Hartree Fock at the moment)

dqc.readthedocs.io/

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Differentiable Quantum Chemistry (only Differentiable Density Functional Theory and Hartree Fock at the moment)

dqc.readthedocs.io/

Topics

automatic-differentiation density-functional-theory computational-chemistry computational-physics quantum-chemistry hartree-fock

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Readme

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Apache-2.0 license
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