RadonPy Polymer Dataset (PI1070)
Contains molecular-simulation data for 1,070 amorphous polymers, including computed physical properties such as density, heat capacity, refractive index, and thermal conductivity under defined conditions.
| Version | 1.0.0 |
|---|---|
| Creator | Y. Hayashi |
Keywords
polymermolecular_dynamicsproperty_prediction
Citation
RadonPy: Automated Physical Property Calculation using All-atom Classical Molecular Dynamics Simulations for Polymer Informatics