Ask for help when predicting thousands of proteins

RosettaCommons / RoseTTAFold

This package contains deep learning models and related scripts for RoseTTAFold

MIT License

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Ask for help when predicting thousands of proteins #57

Open Rusfell opened 3 years ago

Rusfell commented 3 years ago

Hi, RoseTTAFold team~

Since i need to predict thousands of proteins, but the scripts (run_e2e_ver.sh and run_pyrosetta_ver.sh) seem to only input one protein at the same time. What should i do to speedup my analysis?

Currently, i use the for loop to run pyrosetta for each protein, any suggustion?

Thanks!

Rusfell

Iwillsky commented 3 years ago

Hi @Rusfell, I've modified a branch with different jobId which is suitable for HPC running enviroment. You can refer to this step by step guide to build a HPC cluster for proteins folding. Hope it can help.