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.
module spider amptorch to find out what environment modules are available for this application.
- HPC_AMPTORCH_DIR - installation directory
- HPC_AMPTORCH_BIN - executable directory