cyclicpeptide: a Python package for cyclic peptide drug design.

Abstract

The unique cyclic structure of cyclic peptides grants them remarkable stability and bioactivity, making them powerful candidates for treating various diseases. However, the lack of standardized tools for cyclic peptide data has hindered their potential in today's artificial intelligence-driven efficient drug design landscape. To bridge this gap, here we introduce a Python package named cyclicpeptide specifically for cyclic peptide drug design. This package provides standardized tools such as Structure2Sequence, Sequence2Structure, and format transformation to process, convert, and standardize cyclic peptide structure and sequence data. Additionally, it includes GraphAlignment for cyclic peptide-specific alignment and search and PropertyAnalysis to enhance the understanding of their drug-like properties and potential applications. This comprehensive suite of tools aims to streamline the integration of cyclic peptides into modern drug discovery pipelines, accelerating the development of cyclic peptide-based therapeutics.