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1. pypolymlp pypolymlp Public

   Generator of polynomial machine learning potentials

   C++ 9 4

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

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

   C++ 6 4

3. pypolymlp-feedstock pypolymlp-feedstock Public

   Forked from conda-forge/pypolymlp-feedstock

   A conda-smithy repository for pypolymlp.

4. recommender recommender Public

   Recommender system database for finding unknown inorganic compounds

   Python 4

5. pyclupan pyclupan Public

   Cluster expansion tools for alloy and substitutional ionic systems

   Python 2

6. symfc symfc Public

   Forked from symfc/symfc

   Generate symmetrized force constants

   Python