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Working on the application of Machine Learning to Materials Discovery
aviary. The Wren sits on its Roost in the Aviary.
63roost. Representation Learning from Stoichiometry
61EleMD. A minimal implementation of the Element-Movers-Distance using modular libraries.
7ornstein-zernike. Machine Learning to infer improved closure relationships for the Ornstein-Zernike equation
7go-md. Simple Molecular Dynamics in Go
5apical. Investigation of structural dependencies of cuprates on the apical and in-plane distances
2espresso. The ESPResSo package
1CompRhys.
1pymatgen. Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials Project.
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