add classification threshold selection with GHOST #183
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Adds GHOST estimator wrapper for classification threshold adjustment. Adding GHOST as a post-processing element requires also changes to the post-processing within the pipeline class.
See the paper and repository for more details:
Esposito, C., Landrum, G.A., Schneider, N., Stiefl, N. and Riniker, S., 2021.
"GHOST: adjusting the decision threshold to handle imbalanced data in machine
learning."
Journal of Chemical Information and Modeling, 61(6), pp.2623-2640.
https://doi.org/10.1021/acs.jcim.1c00160
https://github.com/rinikerlab/GHOST