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The KDE of δ ΔG (eq 5) for the 156 compound subset. Top: KDE of the errors obtained with OpenFF 2.0 (blue line) and for the NNP corrected results (green line). Bottom: KDE of the errors for CGenFF (blue) and NNP corrected results (green). Results for the individual molecules are shown as dots: blue for the MM, and green for the NNP corrected values.
