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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