Clayne

❓ [QUESTION]how can I use the ase calculator for testing ?

1

I have deployed the result of a training session into a pth model and hope to test it by ASE calculator for some testing data of xyz format, but I...

I cannot register my own dataset

1

I want to run this code in VLCS dataset and i register this dataset as required, but it keeps showing that 'Object name "VLCS" does not exist in "DATASET" registry',...