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1. CosineSimilarityAnalyses CosineSimilarityAnalyses Public

   Groups "similar" observations based on their feature vectors

   Python

2. Crystalytics-Py Crystalytics-Py Public

   Python

3. DislocationFields DislocationFields Public

   This is a solid mechanics package which computes the displacement, strain and stress fields of dislocation(s) in an infinite elastic medium

   Python

4. lammps_python_simulation_toolkit lammps_python_simulation_toolkit Public

   A Python wrapper simulation toolkit for running LAMMPS simulations

   Python

5. AtomicClusterExpansion AtomicClusterExpansion Public

   Computes the basis functions for Atomic Cluster Expansion, which will serve as fingerprints to distinguish atomic environments

   Python