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mbgdml


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Author: Alex M. Maldonado
License: MIT license
Summary: Create, use, and analyze machine learning potentials within the many-body expansion framework
Latest version: 0.1.1
Required dependencies: ase | bayesian-optimization | cclib | matplotlib | numpy | pandas | psutil | pydantic | pytest | qcelemental | ray | scipy

Downloads last day: 2
Downloads last week: 19
Downloads last month: 46