maml-apps-rfxas is a maml add-on to perform RF analysis of X-ray Absorption Spectra.
Project description
This is the package associated with our recent publication:
Zheng, C., Chen, C., Chen, Y.M. & Ong, S.P. (2020), Random Forest Models for Accurate Identification of Coordination Environments from X-ray Absorption Near-Edge Structure, Patterns, accepted. Usage example of the package can be found in the notebooks folder and experiment.csv contains processed experimental data used in the paper.
Installation
Pip install via PyPI:
pip install maml-apps-rfxas
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