polyVERSE (Polymer Universe, also "polymers generated by Virtually-Executed Rule-based Synthesis Experiments") is a comprehensive repository for informatics-ready datasets curated by the Ramprasad Group. This repository encompasses a vast and continuously expanding range of chemical spaces and material properties, including both known and hypothetical polymers. It includes datasets generated through physical experiments, physics-based simulations, and machine learning model predictions. The data is organized into two main folders: Virtual-Polymers and Other. Virtual-Polymers contains datasets pertaining to virtually-generated polymers, i.e., spanning the ever-expanding polyVERSE. The data is organized based on the approach used to generate virtual polymers. Other contains subfolders with informatics-ready CSV files for various polymer properties.
Ramprasad et al. (2024). polyVERSE: Informatics-Ready Polymer Datasets (Version 1.0). Zenodo. DOI: 10.5281/zenodo.13352644.