Sugata Goswami,
Silvan Käser,
Raymond J. Bemish,
Markus Meuwly,
Version 0 of Colab Fit Dataset published 2024 via ColabFit
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.