Closed hityingph closed 4 months ago
In tools, I have added a new script to select structures from original large reference dataset, based on Calorine and farthest point sampling. I use the PbTe system as a toy example, select 25 structures from the 300 structures in text.xyz.
thanks!
In tools, I have added a new script to select structures from original large reference dataset, based on Calorine and farthest point sampling. I use the PbTe system as a toy example, select 25 structures from the 300 structures in text.xyz.