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1. CUDA-Programming CUDA-Programming Public

   Sample codes for my CUDA programming book

   Cuda 1.6k 330

2. GPUMD GPUMD Public

   Graphics Processing Units Molecular Dynamics

   Cuda 493 123

3. bigd4/PyNEP bigd4/PyNEP Public

   A python interface of NEP

   C++ 50 17

4. gpuqt gpuqt Public

   A CUDA-implementation of linear-scaling quantum transport methods

   Cuda 26 11

5. Molecular-Dynamics-Simulation Molecular-Dynamics-Simulation Public

   Sample codes for my book on molecular dynamics simulation

   Jupyter Notebook 190 52

6. NEP_CPU NEP_CPU Public

   CPU version of NEP

   C++ 57 20