akiyamalab / MEGADOCK

An ultra-high-performance protein-protein docking for heterogeneous supercomputers
http://www.bi.cs.titech.ac.jp/megadock/
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Is there an alternative to ZRANK1 #31

Open Rohit-Satyam opened 1 month ago

Rohit-Satyam commented 1 month ago

Hi @akiyamalab-web @tonets

I was wondering if there is any other scoring method that is faster than Zrank because it is really slow and if I have to run it for 100 docking results (I am using megadock PPI mode) it will take forever. I am asking this because we then have to use ppiscore function from megadock and that would require meeting certain file format right?

Also, can't I add hydrogen before running megadock ? or does it have to be just for reranking?