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Code for DKL-ECG implementation in "Bypassing Backmapping: Coarse-Grained Electronic Property Distributions Using Heteroscedastic Gaussian Processes"

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DKL_ECG

Code for the DKL-ECG implementation in Maier, J.C.; Jackson, N.E. "Bypassing Backmapping: Coarse-Grained Electronic Property Distributions Using Heteroscedastic Gaussian Processes", J. Chem. Phys. 2022, 157, 174102.

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Code for DKL-ECG implementation in "Bypassing Backmapping: Coarse-Grained Electronic Property Distributions Using Heteroscedastic Gaussian Processes"

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