CREMP

CREMP is a resource generated for the rapid development and evaluation of machine learning models for macrocyclic peptides. CREMP contains 36,198 unique macrocyclical peptides and their high-quality structural ensembles generated using the Conformer-Rotamer Ensemble Sampling Tool (CREST).

Source: CREMP: Conformer-Rotamer Ensembles of Macrocyclic Peptides for Machine Learning

Image Source: CREMP: Conformer-Rotamer Ensembles of Macrocyclic Peptides for Machine Learning