1. Projects
  2. Project Folding Profile

PROJECT #18436 RESEARCH FOR BENCHMARK
FOLDING PERFORMANCE PROFILE

PROJECT SUMMARY

These projects are simulations of so-called "host-guest" interactions, designed to test our ability to accurately predict the free energy of ligand binding.   The "host" in this particular system is a barrel-shaped pillarene with acidic functional groups, while the "guests" are cationic small molecules that like to bind inside the barrel.  Benchmarks like these are essential to continue advancing computational drug discovery efforts.

PROJECT INFO

Manager(s): Prof. Vincent Voelz

Institution: Temple University

PROJECT WORK UNIT SUMMARY

Atoms: 8,500

Core: GRO_A8

Status: Public

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Friday, 03 December 2021 04:36:07

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 Friday, 03 December 2021 04:36:07

Rank
Project 		CPU Model Logical
Processors (LP) 		PPD-PLP
AVG PPD per 1 LP 		ALL LP-PPD
(Estimated) 		Make
1 RYZEN 7 5800X 8-CORE 16 36,488 583,808 AMD
2 RYZEN 7 3700X 8-CORE 16 24,434 390,944 AMD
3 11TH GEN CORE I9-11900K @ 3.50GHZ 16 23,212 371,392 Intel
4 RYZEN 5 5600X 6-CORE 12 22,119 265,428 AMD
5 RYZEN 7 3800X 8-CORE 16 15,146 242,336 AMD
6 CORE I7-6700 CPU @ 3.40GHZ 8 14,600 116,800 Intel
7 CORE I7-7700 CPU @ 3.60GHZ 8 11,631 93,048 Intel
8 XEON CPU X5570 @ 2.93GHZ 16 4,379 70,064 Intel
9 CORE I7-9700K CPU @ 3.60GHZ 8 7,399 59,192 Intel
10 CORE I7-10510U CPU @ 1.80GHZ 8 7,298 58,384 Intel
11 CORE I5-4590 CPU @ 3.30GHZ 4 12,589 50,356 Intel
12 11TH GEN CORE I5-1135G7 @ 2.40GHZ 8 6,097 48,776 Intel
13 CORE I5-4670 CPU @ 3.40GHZ 4 11,785 47,140 Intel
14 CORE I5-6600K CPU @ 3.50GHZ 4 11,505 46,020 Intel
15 XEON CPU E3-1245 V2 @ 3.40GHZ 8 4,783 38,264 Intel
16 CORE I5-3570 CPU @ 3.40GHZ 4 8,847 35,388 Intel
17 CORE I7-8705G CPU @ 3.10GHZ 8 3,811 30,488 Intel
18 XEON CPU E31245 @ 3.30GHZ 8 3,400 27,200 Intel
19 CORE I3-6006U CPU @ 2.00GHZ 4 3,128 12,512 Intel
20 CORE I5-5200U CPU @ 2.20GHZ 4 2,713 10,852 Intel
21 CORE I3-3225 CPU @ 3.30GHZ 4 1,809 7,236 Intel