HaywireHaywood
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Was looking at what one of my GPUs was folding and found this. Pretty interesting and I am glad that they are looking for ways to make the whole thing more efficient.Project 11715Disease Type: UnspecifiedThis project is generating a test set for what we hope will increase the power of F@h by orders of magnitude, i.e. adaptive sampling. The idea is that instead of running many trajectories for a long time and seeing what happened at the end, we will run hundreds of trajectories for just 1 to a few gens - then pick frames from those that have advanced most on a given goal function (e.g. traveled furthest from their starting structure and closest to a target structure) and re-seed the next hundred of trajectories etc. - there’s a good amount of literature showing this can achieve very significant speedups. It will also let us make the same conclusions with much less data - speed the whole process up.11715 is a short designed beta-hairpin peptide - trpzip2, which has unfolded, folded, and mis-registered states - i.e. it’s a good model of what we have with our cancer proteins where multiple conformational states have to be connected. We’re collecting ‘standard’ reference data here, and then will try our adaptive machinery for the first time to try to reproduce the ‘standard’ results.
post edited by HaywireHaywood - 2018/09/09 06:17:46
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bcavnaugh
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Re: Project 11715
2018/09/09 11:14:36
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Teknogroovie
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Re: Project 11715
2018/09/09 11:16:58
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Yeah one of my 1080ti, runs that allot. It does kill the PPD by about 200K but glad to see they are running test to improve the efficiency and who know's what else they may discover in the process.
My Affiliate Code: LR3I6SS70W
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Cool GTX
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Re: Project 11715
2018/09/09 13:52:41
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Interesting -- I've seen those running over the last week or so --- they were giving poor PPD
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bcavnaugh
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Re: Project 11715
2018/09/09 18:10:53
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Cool GTX Interesting -- I've seen those running over the last week or so --- they were giving poor PPD
Even So You Are Back on Top Link
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notfordman
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Re: Project 11715
2018/09/10 10:43:04
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Glad you brought that up Haywire, it's definitely interesting. Thanks! I noticed I was getting those quite regularly.
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planetclown
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Cool GTX
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Re: Project 11715
2018/09/13 10:03:15
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bcavnaugh
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Re: Project 11715
2018/09/13 10:35:43
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Cool GTX
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Re: Project 11715
2018/09/13 11:14:27
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bcavnaugh
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Re: Project 11715
2018/09/13 11:19:26
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Might be about the same Subject Matter in a since on the BOINC Side.
post edited by bcavnaugh - 2018/09/13 11:20:54
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