GenPep is a Python script developed by the authors to generate peptide structures from amino acid permutation data. The development of GenPep involved using the SMILES string of 20 amino acids that comprise proteins, as basic building blocks, with the objective of generating peptides containing two and three amino acids. L-enantiomers were used exclusively to constrain the number of permutations, as they are more relevant for biological processes. This is the metadata for the source code version 1.1.0 deposited in GitLab. Further updates and corrections may be released under other versions, but the version 1.1.0 is the one used in the project "Development of an Interaction Model of the Protein-Nanocluster Interface by Machine Learning-Assisted Clustering of Amino Acids". The snapshot of the code related to the metadata is at: https://gitlab.jyu.fi/brdesouz/genpep-peptide-generator/-/releases/1.1.0

2025