Uni-Mol icon indicating copy to clipboard operation
Uni-Mol copied to clipboard
verified publisher icon dptech-corp

question regarding clustering_coords

Open orgw opened this issue 3 years ago • 1 comments

hi team. I'm trying to create docking interaction database similar to yours.

  1. in clustering coords M=1000, N=100. is this necessary? Would it be ok to say M=100 and N=10? It takes too long to process.. thanks for your feedback.

  2. also the k means clustering is not able to create more than 10 clusters, which i found to be a common error. I wonder how you guys went though this as well. for now i'm reducing clusters when error occurs

orgw avatar Apr 17 '23 05:04 orgw

hi team. I'm trying to create docking interaction database similar to yours. in clustering coords M=1000, N=100. is this necessary? Would it be ok to say M=100 and N=10? It takes too long to process.. thanks for your feedback

Yes, clustering is not necessary, you can choose to use smaller M and N.

Naplessss avatar Apr 17 '23 05:04 Naplessss