Benchmark results

Pinheiro, Max;Ge, Fuchun;Ferré, Nicolas;Dral, Pavlo O.;Barbatti, Mario

Description

This dataset contains all benchmark results with values of root-mean squared error (RMSE) for both energy and forces obtained with different MLPs for the 10 molecules of the MD17 database.

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Metrics

Dataset Index

0.3

FAIR Score

85%

Citations

Mentions

Metrics Over Time

Publication Details

DOI

10.6084/m9.figshare.16677118.v1

Publisher

figshare

Assigned Domain

Subfield

Artificial Intelligence

Field

Computer Science

Domain

Physical Sciences

Confidence Score

39%

Source

Scholar Data Model

Keywords

Computational Chemistry

Normalization Factors

15.38

CTw

1.00

MTw

1.00