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  1. quantum-inspired-cluster-expansion quantum-inspired-cluster-expansion Public

    Quantum-inspired Cluster Expansion: formulating chemical space search as QUBOs and Ising models

    Python 6 1

  2. DARWIN DARWIN Public

    Interpretable discovery of materials using machine learning

    Python 5 3

  3. TherML TherML Public

    closed loop materials discovery using error correction learning

    Python 2

  4. ReactionEnergyDiagram ReactionEnergyDiagram Public

    Tool to draw reaction energy diagrams, reaction energies and reaction energetics using Python and matplotlib

    Python 3

  5. Game_Of_Life Game_Of_Life Public

    Conway's Game of Life implementation using Python

    Python

  6. electrostats_master electrostats_master Public

    C++ based package that plots fields given any arbitrary charge configuration

    C++