pmd (pypi): Automated generation of LAMMPS data and input files for polymer molecular dynamics simulations
Keywords: LAMMPS|Polymer|SMILES|Molecular Dynamics|Simulations|high-performance-computing|high-throughput-pipeline|high-throughput-screening|lammps|materials-informatics|materials-science|materials-screening|molecular-dynamics|molecular-dynamics-simulation|polymer|polymer-simulation|pypi-package|python|simulation|smiles-strings