XenonPy

  • Level of openness 3 ★★★
  • Document quality 2 ★★☆

XenonPy is a high-throughput material exploration framework based on machine learning technologies. This library can generate various chem/phys descriptors for machine learning to explore materials in virtual environment. Descriptors in matminer can be also used. Model training is done by PyTorch. Visualization tool for descriptor and transfer learning framework are also provided.

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XtalOpt

  • Level of openness 3 ★★★
  • Document quality 2 ★★☆

An application for prediction of stable and metastable structures from a chemical composition. This application applies the revolutionary algorithm to structure prediction by using various external energy calculators (VASP, GULP, Quantum Espresso, CASTEP).

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