PROJECT #18466 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: 14,398

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 7 3800X 8-CORE 16 21,503 344,048 AMD
2 CORE I7-10700K CPU @ 3.80GHZ 16 18,323 293,168 Intel
3 12TH GEN CORE I5-12600K 16 17,149 274,384 Intel
4 RYZEN 9 3900X 12-CORE 24 10,865 260,760 AMD
5 CORE I7-8700 CPU @ 3.20GHZ 12 21,522 258,264 Intel
6 RYZEN 5 4500 6-CORE 12 16,161 193,932 AMD
7 CORE I9-9900K CPU @ 3.60GHZ 16 10,189 163,024 Intel
8 RYZEN 5 3500 6-CORE 6 24,602 147,612 AMD
9 CORE I7-7700K CPU @ 4.20GHZ 8 13,589 108,712 Intel
10 CORE I9-8950HK CPU @ 2.90GHZ 12 8,106 97,272 Intel
11 CORE I7-10700T CPU @ 2.00GHZ 16 5,919 94,704 Intel
12 CORE I5-4690 CPU @ 3.50GHZ 4 18,732 74,928 Intel
13 APPLE M1 8 8,633 69,064 Apple
14 RYZEN 5 2400G 8 7,065 56,520 AMD
15 CORE I5-4590 CPU @ 3.30GHZ 4 13,555 54,220 Intel
16 CORE I7-6700K CPU @ 4.00GHZ 8 6,305 50,440 Intel
17 CORE I5-6600K CPU @ 3.50GHZ 4 8,067 32,268 Intel
18 XEON CPU E5-2697 V2 @ 2.70GHZ 24 1,112 26,688 Intel
19 CORE I5-3210M CPU @ 2.50GHZ 4 5,914 23,656 Intel
20 CORE I3-6006U CPU @ 2.00GHZ 4 2,701 10,804 Intel