DeePMD-kit¶

Description¶

DeePMD-kit is a package written in Python/C++, designed to minimize the effort required to build deep-learning models of interatomic potential energy and force field and to perform molecular dynamics.

Environment Modules¶

Run module spider deepmd-kit to find out what environment modules are available for this application.

Environment Variables¶

HPC_DEEPMD-KIT_DIR - installation directory
HPC_DEEPMD-KIT_BIN - executable directory

Categories¶

molecular dynamics, deep learning