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1. pypolymlp pypolymlp Public

   Generator of polynomial machine learning potentials

   C++ 17 6

2. lammps-polymlp-package lammps-polymlp-package Public

   A user package of LAMMPS software enabling simulations using linearized machine learning potentials

   C++ 9 4

3. pypolymlp-feedstock pypolymlp-feedstock Public

   Forked from conda-forge/pypolymlp-feedstock

   A conda-smithy repository for pypolymlp.

4. pyclupan pyclupan Public

   Cluster expansion tools for alloy and substitutional ionic systems

   Python 2

5. symfc symfc Public

   Forked from symfc/symfc

   Generate symmetrized force constants

   Python

6. rsspolymlp rsspolymlp Public

   Forked from hytwakai/rsspolymlp

   A framework for random structure search using polynomial MLPs

   Python