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1. pantea pantea Public

   A Python library for developing machine learning interatomic potentials, based on JAX.

   Python 6 2

2. raspi-hpc-cluster raspi-hpc-cluster Public

   A repo for setting up a test but scalable Slurm HPC cluster using Raspberry Pi's.

   Lua 15 1

3. nnp nnp Public

   An experimental C++ implementation of high-dimensional neural network potential (HDNNP) for molecular dynamics simulations.

   C++ 4 2

4. gpu-top gpu-top Public

   A basic CLI tool to monitor GPU resource utilization.

   Python 1

5. linear-md linear-md Public

   A Pythonic yet efficient implementation of linear-scaling MD simulation of lennard-Jones particles.

   Python 1

6. GPU-Accelerated-Computing-with-Python-3-and-CUDA GPU-Accelerated-Computing-with-Python-3-and-CUDA Public

   Forked from PacktPublishing/GPU-Accelerated-Computing-with-Python-3-and-CUDA

   My book "GPU Computing with Python 3 and CUDA", Published by Packt.

   Jupyter Notebook