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amptorch website  

AMPtorch is a PyTorch implementation of the Atomistic Machine-learning Package (AMP) code that seeks to provide users with improved performance and flexibility as compared to the original code. The implementation does so by benefiting from state-of-the-art machine learning methods and techniques to be optimized in conjunction with high-throughput supercomputers. AMPtorch is built on top of PyTorch Geometric and Skorch.

Environment Modules

Run module spider amptorch to find out what environment modules are available for this application.

System Variables

  • HPC_AMPTORCH_DIR - installation directory
  • HPC_AMPTORCH_BIN - executable directory