Thank you so much for sharing this great dataset!
If I got the paper right, you've calculated AIMD trajectories for 623 structures to validate MLIP's capability of predicting good ionic conductors (Fig 3a). Would you have plans for releasing this AIMD trajectories' data as well?
Thanks!
Thank you so much for sharing this great dataset! If I got the paper right, you've calculated AIMD trajectories for 623 structures to validate MLIP's capability of predicting good ionic conductors (Fig 3a). Would you have plans for releasing this AIMD trajectories' data as well? Thanks!