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1. CUDA-Programming CUDA-Programming Public

   Sample codes for my CUDA programming book

   Cuda 2.1k 389

2. GPUMD GPUMD Public

   Graphics Processing Units Molecular Dynamics

   Cuda 864 217

3. bigd4/PyNEP bigd4/PyNEP Public

   A python interface of NEP

   C++ 71 21

4. Molecular-Dynamics-Simulation Molecular-Dynamics-Simulation Public

   Sample codes for my book on molecular dynamics simulation

   Jupyter Notebook 298 67

5. NEP_CPU NEP_CPU Public

   CPU version of NEP (part of GPUMD)

   C++ 106 31

6. GPUMD-Tutorials GPUMD-Tutorials Public

   Tutorials related to GPUMD

   Python 119 30