/tools/PROPhet
PROPhet
biklooost/PROPhet
66 stars27 forksC++Added February 5, 2026
summary
PROPhet is a software that combines neural networks with first-principles quantum chemistry methods to predict material properties. It allows for the mapping of atomic configurations to various properties and can be used for molecular dynamics simulations with LAMMPS.
description
PROPhet is a code to integrate machine learning techniques with first-principles quantum chemistry approaches
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