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