Data for: "Automated descriptors to relate peptide self-assembly with macroscopic properties, enabling machine learning for targeted supramolecular gel discovery"

Full simulation trajectories and per-frame analysis (ADI, FFI, VFI, SFI, TFI) for selected dipeptides systems referenced in the article (FF, WI, RF, KF, FL).

The python code has been included in the snapshot as the github repo linked in the article is subject to change and update over time while this version will remain fixed.