Valeri Barsegov Group

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1. SOP-GPU SOP-GPU Public

   Software package for simulations of biomolecules on GPU.

   C++ 4 3

2. TensorCalculator TensorCalculator Public

   Package for calculating stress/strain tensor distribution along simulation trajectory (SOP-GPU extension)

   C++ 1

3. Quantum-classical_Ewald_Summation Quantum-classical_Ewald_Summation Public

   A hybrid quantum-classical Ewald summation algorithm for periodic electrostatics that uses the quantum Fourier transform (QFT) to evaluate the reciprocal-space term.

   Jupyter Notebook