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Terray Therapeutics
- https://www.rpederson.com/
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DFT_exconditions Public
A library for assessing and analyzing exact constraints in density functional theory (DFT) approximations.
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DFT_1d Public
A library for 1-dimensional density functional theory (DFT) calculations and analysis.
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ksr_dft Public
Kohn-Sham regularizer for machine-learned DFT functionals.
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cond_prob_dft Public
conditional probability density functional theory with examples
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fourier_grid_hamiltonian Public
Fourier Grid Hamiltonian method for high-precision 1D quantum calculations
Python UpdatedNov 28, 2022 -
pyscf Public
Forked from pyscf/pyscfPython module for quantum chemistry
Python Apache License 2.0 UpdatedSep 8, 2022 -
google-research Public
Forked from google-research/google-researchGoogle Research
Jupyter Notebook Apache License 2.0 UpdatedMay 6, 2022 -
Arbitrary-order derivatives of popular electronic structure methods, such as Hartree-Fock and coupled cluster theory.
Python BSD 3-Clause "New" or "Revised" License UpdatedMar 5, 2021 -
TensorNetwork Public
Forked from google/TensorNetworkA library for easy and efficient manipulation of tensor networks.
Python Apache License 2.0 UpdatedSep 30, 2020