Published January 3, 2025 | Version v2
Other Open

AutoPeptideML_SI

Creators

  • 1. ROR icon University College Dublin
  • 2. ROR icon IBM Research - Ireland
  • 3. ROR icon National University of Quilmes
  • 4. University of KwaZulu-Natal - Westville Campus

Description

 Introduction


This directory contains supplementary information to the paper: "AutoPeptideML: A study on how to build more trustworthy peptide bioactivity predictors".

Contents


1. AutoPeptideML


Version 1.0.0 of AutoPeptideML stored here for archival purposes.

2. Models


This directory contains the models generated in one of the runs of AutoPeptideML with the NegSearch+HP datasets. The output also contains both the splits used for training the model with the independent train/test subsets and the 10-folds used for cross-validation.

3. Figures


A notebook `get_propeties.ipynb` with the code used for calculating the physico-chemical properties of the peptides is also included.

Files

Files (487.8 MB)

Name Size Download all
md5:be6a14b1d5c0d48c1b462092b8c7e06e
487.8 MB Download

Additional details

Software

Repository URL
https://github.com/IBM/AutoPeptideML