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Search results for density hessian

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Pyhessian ⭐ 600

PyHessian is a Pytorch library for second-order based analysis and training of Neural Networks

Document and code of python and PySCF approach XYG3 type of density functional 2nd-derivative realization

Spectral Density ⭐ 34

Hessian spectral density estimation in TF and Jax

Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.

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