Message boards : Rosetta@home Science : Big changes on Rosetta and Foldit
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[VENETO] boboviz Send message Joined: 1 Dec 05 Posts: 1994 Credit: 9,595,440 RAC: 8,715 |
There is big changes on Rosetta code and these involve also Foldit But perhaps the biggest change that comes with the update is improvements to scoring. There's been a *lot* of work put into the Rosetta scoring function recently, and just about every portion of scoring has been re-evaluated and re-optimized. From pubblication: The resulting next-generation Rosetta energy function (opt-nov15) outperforms the previous energy function (talaris2014)13 on a wide range of structure prediction tests independent of the training set data. In contrast to opt-nov15, talaris2014 had been optimized solely relying on similar set of structural data we incorporate in the study without the use of small molecule data I hope this changes is integrated in the new 4.x app (or will be implemented soon) and we give better simulations |
Sid Celery Send message Joined: 11 Feb 08 Posts: 2122 Credit: 41,193,822 RAC: 9,898 |
What does "scoring" mean in this context? It can't mean task credits for users as that would be largely inconsequential. |
[VENETO] boboviz Send message Joined: 1 Dec 05 Posts: 1994 Credit: 9,595,440 RAC: 8,715 |
What does "scoring" mean in this context? Uh, you are not a newbie here. I think you know what kind of simulations R@H does. They use the "minum energy" for their simulations. (and, at the end, they compared these simulations with in-vitro proteins). So the "scoring" is reported to this energy |
rjs5 Send message Joined: 22 Nov 10 Posts: 273 Credit: 23,024,141 RAC: 6,882 |
There is big changes on Rosetta code and these involve also Foldit I only have access to the 3.78 source code and not the 4.0 source using my Academic/non-profit license. Disassembly shows the 3.78 is now a 32-bit only app. It only uses x87 floating point operations. I would guess that it is using double precision since it only uses the 80-bit x87 registers. 4.07 seems to be quite different and is a 64-bit app that relies heavily, if not exclusively on 4 parallel single precision numbers stored in the xmm registers. IMO, it appears that version 4 has taken the first step toward some level of parallelism. The developers and probably staff have some idea of how much of a difference and how much problem the changes have introduced. There is no real easy way as a cruncher to tell how much difference it makes. The code crunches for so many hours and makes as many iterations as it can during that time. |
Sid Celery Send message Joined: 11 Feb 08 Posts: 2122 Credit: 41,193,822 RAC: 9,898 |
What does "scoring" mean in this context? You would be surprised how little I know... lol |
[VENETO] boboviz Send message Joined: 1 Dec 05 Posts: 1994 Credit: 9,595,440 RAC: 8,715 |
I only have access to the 3.78 source code and not the 4.0 source using my Academic/non-profit license. The RosettaCommons team released the 3.9 version of Rosetta platform. I don't know if 4.0 R@H source code is this version or the older (3.8 Rosetta) |
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Big changes on Rosetta and Foldit
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