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Found 2 papers, 1 papers with code
Encrypted machine learning of molecular quantum properties
However, we find that encrypted predictions using kernel ridge regression models are a million times more expensive than without encryption.
Machine Learning of Free Energies in Chemical Compound Space Using Ensemble Representations: Reaching Experimental Uncertainty for Solvation
To generate the input representation for a new query compound, FML requires approximate and short molecular dynamics runs.
Chemical Physics
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