PROJECT #18465 RESEARCH FOR UNSPECIFIED
FOLDING PERFORMANCE PROFILE
PROJECT SUMMARY
A key challenge in computational drug discovery is developing and testing methods to predict experimental partition coefficients for the relative solubility of organic molecules in aquoeus vs/ non-polar media.
The logarithm of the partition coeffient, logP, is an important predictor of lipophilicity, which dictates the bioavailability of drugs.
These CPU projects are expanded-ensemble (EE) simulations designed to predict water/toluene partition coefficients of small-molecule drugs as part of the recent SAMPL9 logP challenge.
PROJECT INFO
Manager(s): Prof. Vincent Voelz
Institution: Temple University
PROJECT WORK UNIT SUMMARY
Atoms: 21,086
Core: 0xa8
Status: Public
PROJECT FOLDING PPD AVERAGES BY GPU
PPDDB data as of Saturday, 28 January 2023 00:14:36
|
Rank Project |
Model Name Folding@Home Identifier |
Make Brand |
GPU Model |
PPD Average |
Points WU Average |
WUs Day Average |
WU Time Average |
|---|
PROJECT FOLDING PPD AVERAGES BY CPU BETA
PPDDB data as of Saturday, 28 January 2023 00:14:36
|
Rank Project |
CPU Model |
Logical Processors (LP) |
PPD-PLP AVG PPD per 1 LP |
ALL LP-PPD (Estimated) |
Make |
|---|---|---|---|---|---|
| 1 | RYZEN 9 7900X 12-CORE | 24 | 53,017 | 1,272,408 | AMD |
| 2 | 13TH GEN CORE I9-13900KS | 32 | 28,956 | 926,592 | Intel |
| 3 | RYZEN 7 7700X 8-CORE | 16 | 38,061 | 608,976 | AMD |
| 4 | RYZEN 7 5700X 8-CORE | 16 | 27,608 | 441,728 | AMD |
| 5 | 11TH GEN CORE I9-11900K @ 3.50GHZ | 16 | 19,391 | 310,256 | Intel |
| 6 | GENUINE 0000 @ 1.80GHZ | 16 | 17,238 | 275,808 | Intel |
| 7 | RYZEN 5 5600X 6-CORE | 12 | 22,749 | 272,988 | AMD |
| 8 | CORE I9-9900K CPU @ 3.60GHZ | 16 | 11,915 | 190,640 | Intel |
| 9 | RYZEN 5 3500 6-CORE | 6 | 29,322 | 175,932 | AMD |
| 10 | XEON CPU E5-2697 V2 @ 2.70GHZ | 24 | 5,330 | 127,920 | Intel |
| 11 | CORE I7-5820K CPU @ 3.30GHZ | 12 | 10,124 | 121,488 | Intel |
| 12 | CORE I7-7700K CPU @ 4.20GHZ | 8 | 14,373 | 114,984 | Intel |
| 13 | CORE I7-4770 CPU @ 3.40GHZ | 8 | 11,194 | 89,552 | Intel |
| 14 | CORE I7-8700 CPU @ 3.20GHZ | 12 | 6,283 | 75,396 | Intel |
| 15 | CORE I7-4770HQ CPU @ 2.20GHZ | 8 | 8,171 | 65,368 | Intel |
| 16 | RYZEN 5 5500U | 12 | 3,684 | 44,208 | AMD |
| 17 | CORE I3-3220 CPU @ 3.30GHZ | 4 | 4,759 | 19,036 | Intel |
| 18 | FX-4300 QUAD-CORE | 4 | 735 | 2,940 | AMD |