Training data and prediction results for predicting water diffusion in various polymers using MD-GAN
<p>Training data and prediction results for predicting water diffusion in various polymers using MD-GAN.</p> <p>MD trajectories used as input, MSDs calculated from MD, predicted MSDs, and diffusion coefficient values.</p> <p>MD trajectories were obtained from the following paper.<br> Kojima, H.; Handa, K.; Yamada, K.; Matubayasi, N. Water Dissolved in a Variety of Polymers Studied by Molecular Dynamics Simulation and a Theory of Solutions. <em>The Journal of Physical Chemistry B</em> 2021, 125, 9357-9371.</p> <p> </p>
ShareScore
32/100
Overall dataset sharing score
Score breakdown
These five areas show where the dataset supports — or may limit — practical reuse.
- Stewardship
- 4
- Harmonization
- 4
- Access
- 16
- Reuse readiness
- 8
- Engagement
- 0
ScienceDex for faculty
Your academic CV and NIH biosketch
Make your CV in your school's format and your NIH biosketch from it, then download both as Word files.