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  1. MPcat Public

    An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution of Jaguar and AutoTS calculations for molecular thermodynam…


  2. deLIBErate is a repository of code to assist in the use and analysis of the Lithium-Ion Battery Electrolyte (LIBE) dataset.


  3. ECheML Public

    A neural network architecture for predicting (electro)chemical reaction products


303 contributions in the last year

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Contribution activity

September 2021

Created 2 commits in 1 repository

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