Posts by srettie

1) Message boards : Number crunching : Problems and Technical Issues with Rosetta@home (Message 107232)
Posted 11 Oct 2022 by srettie
Post:
I'll see about talking our Rosetta@Home team tomorrow. Sorry for the delay on this.
2) Message boards : Number crunching : Problems and Technical Issues with Rosetta@home (Message 107096)
Posted 6 Oct 2022 by srettie
Post:
Ooh, new batch of tasks again? No idea how big yet
We could get used to this


I certainly hope so!

Looks like things are running okay so far. This is batch 2. ~5mil total for this experiment on the way.
3) Message boards : Number crunching : Problems and Technical Issues with Rosetta@home (Message 107022)
Posted 2 Oct 2022 by srettie
Post:
Hello, these are from me. I thought I'd double check how things looked on the forums after submitting such a massive run.

This is part of a massive sampling of small cyclic peptides generated using some pretty cool tweaks to Alphafold 2. The term hallucinated refers to protein structures generated using this method: https://www.nature.com/articles/s41586-021-04184-w

These jobs are generating energy landscapes for structurally diverse cluster centers. I'm super excited about these results and really appreciate the incredible amount of computation available from Rosetta@home. The info we get from this will help us put together a massive set of peptide backbones for binder design projects in the future.

I hope to be submitting more... Assuming I'm not breaking any rules by monopolizing this resource.

Thank you all!

-Stephen
4) Message boards : Number crunching : Minirosetta android 3.83 (Message 87041)
Posted 11 Aug 2017 by srettie
Post:
Hello Usuario1_S,

I am so sorry, this is mine. I'm not sure why this job is failing as it was set up in the same way as other jobs that did not fail and is an incredibly similar scaffold. It is 100% my fault for not noticing sooner and ending it.

I apologize for the wasted computational time. I will be much more vigilant in future.

Won't happen again.






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