#

electronic-coarse-graining

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TheJacksonLab / ECG_ActiveLearning

Dataset and code for "Coarse-Grained Density Functional Theory Predictions via Deep Kernel Learning"

pytorch nvidia gaussian-processes active-learning deep-kernel-learning gpytorch a100 dgx-a100 expected-model-output-changes electronic-coarse-graining

Updated Nov 1, 2022
Python

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