search

ACEsuit / mace

MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
Other
493 stars 181 forks source link

Update plot_train.py #352

Closed zhubonan closed 6 months ago

zhubonan commented 6 months ago

Fix PDF file names of the mace_plot_train command. . Previous, the names of the output files are tuples:

('<my_filename>',).pdf

is this due to passing a list of grouped keys to the groupby, which results in a tuple of grouped keys being returned. Since we are only grouping a single key ('name'), passing a string should be sufficient.

ilyes319 commented 6 months ago

Thanks @zhubonan !