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jasonkyuyim / se3_diffusion

Implementation for SE(3) diffusion model with application to protein backbone generation
https://arxiv.org/abs/2302.02277
MIT License
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Evaluating diversity of structures #35

Closed Guo-Stone closed 5 months ago

Guo-Stone commented 6 months ago

Dear authors, could you share your code about diversity evaluating with MaxCluster? Thanks a lot!

jasonkyuyim commented 5 months ago

Do you mean the maxcluster command? We use this maxcluster64bit -l <pdb_list> ./all_by_all_lite -C 2 -in -Rl ./tm_results.txt -Tm 0.5 > ./output.txt

Where <pdb_list> is a text file with one pdb path per line of the proteins to cluster.

Guo-Stone commented 5 months ago

Thanks a lot !