Smina

    #deep chem

    #tensorgraph

    #pandas to json

    #dataframe to json

    #psi4 pcm

    #pandas dataframe to json

    #convert dataframe to json

    #bharath ramsundar

    #huang's law

    #machine learning small data sets

    #tf subtract

    #tf nn softmax

    #estimatorspec tensorflow

    #tf less_equal

    #stop_if_no_decrease_hook

    #smina docking

    #selectkbest

    #smina tutorial

    #sklearn selectkbest