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 105 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.