mp_traj_combined.xyz is subset of MPtraj. Which subset?

[pimdh]

Hi,
The dataset mp_traj_combined.xyz in this repo, recommended for replay during fine-tuning, appears to contain 145923 structures. The MPtraj (here) contains 1.5M DFT calculations. The dataset in this repo appears to be a subset. Which subset is this? Is this chosen to be best for replay during fine-tuning?
Thanks!

[ilyes319]

Hey @pimdh, i think i took one frame from each trajectory randomly, so nothing fancy. Fancier methods to subselect the data for replay are for sure possible, but that seems to work decently.

[pimdh]

Okay, makes sense. Thanks!