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1. ddmms/ml-peg ddmms/ml-peg Public

   ML Performance and Extrapolation Guide

   Python 48 46

2. cuRDF cuRDF Public

   CUDA-accelerated radial distribution functions using NVIDIA ALCHEMI Toolkit-Ops O(N) neighbor lists and PyTorch.

   Python 31 2

3. comprehensive-mlip-testing-framework comprehensive-mlip-testing-framework Public

   5