Au38Q MBTR-K3

Purpose The purpose of Au38Q MBTR-K3 is to test the scalability of a machine learning regression model when the number of observations and the number of features change. Background The Au38Q MBTR-K3 was created from a trajectory file regarding the density functional theory simulation of Au38Q hybrid...

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Bibliographic Details
Main Authors: Linja, Joakim, Hämäläinen, Joonas, Nieminen, Paavo, Kärkkäinen, Tommi
Format: Dataset
Language:English
Published: Zenodo 2020
Subjects:
Online Access:https://dx.doi.org/10.5281/zenodo.4268063
https://zenodo.org/record/4268063