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  1. BDF-Manual BDF-Manual Public

    Forked from BDF-manual-maintenance/BDF-Manual

    Documentation of BDF quantum chemistry program package

    TeX

  2. SFS-VR SFS-VR Public

    Predicting Fuel Properties of Cetane Number, Flash Point, Boiling Point and Melting Point through Sequential Forward Selection (SFS) Enhance Ensemble Machine Learning with Topological Index Selection

    Jupyter Notebook

  3. CBH-BDC-deltaML CBH-BDC-deltaML Public

    Generation of CBH fragment vectors from the SMILES representations of species as inputs for machine learning models

    Python