## Copyright and licence
©Copyright 2025 The RadonPy consortium, all rights reserved.  
Released under thelicense: cc-by-4.0


## Overview
PolyOmics is an omics-scale computational database generated through fully automated molecular dynamics simulation pipelines that provide diverse physical properties for over 10<sup>5</sup> polymeric materials.  
The details are in https://arxiv.org/abs/2511.11626


## Dataset Files
- **general_polymers_with_sp_abbe_dynamic-dielectric.csv** : Over 40 properties (including abbe number, solubility parameters, and dynamic dielectric properties) for 73,045 general polymers in the isotropic amorphous state.  
- **cellulose.csv** : 50,661 cellulose derivatives.  
- **PFAS.csv** : 3,821 PFASs.  
- **biodegradable_candidate_polyester.csv** : 357 polyesters and 26 polycarbonates that were synthesized for the biodegradability screening (Fransen et al.).  
- **ladder_polymers.csv** : 519 ladder polymers.  
- **corresponding_non_ladder_polymers.csv** : Their corresponding non-ladder polymers.  
- **small_molecules.csv** : 23,361 small molecules.  
- **chi_parameter** : Chi parametes of 93,331 polymers with respect to 15 commonly used organic solvents and 4 plasticizers that are estimated using machine learning models.