What it helps with
Peptide format conversion, dataset standardization, feature extraction, graph-based modeling, PDB queries, and structure-level post-processing and rescoring.
PepKit
A modular toolkit for peptide chemistry, graph-based modeling, PDB queries, and structure rescoring.
Peptide format conversion, dataset standardization, feature extraction, graph-based modeling, PDB queries, and structure-level post-processing and rescoring.
Users building peptide datasets, exploring graph-based peptide representations, querying peptide–protein complexes, or benchmarking structural models.
pip install pepkit
Minimal example and full quickstart are in the Getting Started guide.
Install PepKit and run a minimal end-to-end example.
Open guide →FASTA ⇄ SMILES conversion, standardization, and descriptors.
Explore chem →Peptide modeling using graph-based representations and utilities.
Explore graph →Constraint-based PDB queries for peptide–protein complexes.
Explore queries →Post-process and rescore predicted complexes (e.g. AlphaFold outputs).
Explore modeling →Programmatic reference for PepKit modules and functions.
Explore API →