Availability of MD Ensemble Evaluation Scripts
Closed this issue · 2 comments
v-shaoningli commented
Hi all! Thanks for your work.
I'm reaching out to inquire about the availability of MD ensemble evaluation scripts, particularly for metrics beyond RMSD and RMSF. While these two metrics are relatively straightforward to generate, I've found challenges reproducing others like Root Mean W2-Dist and PCAs.
Could u provide guidance or scripts to assist with calculating these metrics? Really thanks for your help.
Best,
Shaoning
bjing2016 commented
These scripts will be uploaded soon; thanks for your patience!
bjing2016 commented
The evaluation scripts have now been uploaded; thanks for your patience!