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materialsvirtuallab/maml-apps-rfxas

Random forest models for XAS

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.

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