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    • MODA

      Public
      Tutorial for the generation of the MODA descriptor to predict magnetic exchange couplings. This repository is associated with the manuscript entitled "Unlocking the Predictive Power of Quantum-Inspired Representations for Intermolecular Properties in Machine Learning", by Raul Santiago, Sergi Vela, Mercè Deumal and Jordi Ribas-Arino, from the GEM2
      machine-learningquantum-chemistrymolecular-representation
      Jupyter Notebook
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      MIT License
      •0•0•0•0•Updated Jun 14, 2023Jun 14, 2023