DOE OSTI · code-98105
pnnl/doa
Abstract
This is a set of Python scripts designed to implement a method of determining the domain of applicability for a trained machine model for molecular property prediction. Additionally, the scripts implement analysis methods to evaluate and explore the results of the method. These scripts are designed to support the submission of a manuscript describing the methods for publication.
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Panapitiya, Gihan, Saldanha, Emily. 2022-12-19. pnnl/doa. https://doi.org/10.11578/dc.20221219.1
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