deepmodeling / deepmodeling/Uni-Mol

question regarding clustering_coords

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Description

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

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