/gradient_boosting_CLF

Repository for reproducing the results presented in the paper "Tuning gradient boosting for imbalanced bioassay modelling".

Primary LanguagePythonMIT LicenseMIT

gradient_boosting_CLF

Python 3.7 License: MIT
Repository for reproducing the results presented in the paper "Tuning gradient boosting for imbalanced bioassay modelling".

Overview

  • losses: folder containing the implementation of the custom loss functions and related classes.
  • misc: folder containing utility functions to run the benchmarks.
  • scripts: collection of scripts to reproduce the results presented in the paper.
  • output: placeholder to store the outputs of the pipelines in scripts.
  • env.yml: conda environment with all packages required to run the scripts.
  • datasets.zip .csv files of all publicly available datasets evaluated in the paper, has to be extracted to run the scripts.

News

New version of the package available at https://github.com/dahvida/custom_gbm

How to cite

Please reference the original publication: https://jcheminf.biomedcentral.com/articles/10.1186/s13321-022-00657-w