10.60732/76701b84

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aleatoric_epistemic_error_AIC2023 Dataset

Sugata Goswami, Silvan Käser, Raymond J. Bemish, Markus Meuwly,
Dataset for H2CO, with and without added noise for testing the effects of noise on quality of fit. Configurations sets are included for clean energy values with different levels of gaussian noise added to atomic forces (including a set with no noise added), and energies perturbed at different levels (including a set with no perturbation). Configuration sets correspond to individual files found at the data link.

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