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