1. Projects
  2. Project Folding Profile

PROJECT #18430 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: 6,650

Core: GRO_A8

Status: Public

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Monday, 23 May 2022 03:34:39

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 Monday, 23 May 2022 03:34:39

Rank
Project 		CPU Model Logical
Processors (LP) 		PPD-PLP
AVG PPD per 1 LP 		ALL LP-PPD
(Estimated) 		Make
1 RYZEN 7 5700G 16 43,930 702,880 AMD
2 RYZEN 9 3900X 12-CORE 24 21,923 526,152 AMD
3 RYZEN 5 5600X 6-CORE 12 17,732 212,784 AMD
4 RYZEN 7 3700X 8-CORE 16 12,501 200,016 AMD
5 CORE I7-8700 CPU @ 3.20GHZ 12 10,881 130,572 Intel
6 CORE I7-7700 CPU @ 3.60GHZ 8 14,350 114,800 Intel
7 RYZEN 5 2600 SIX-CORE 12 6,135 73,620 AMD
8 CORE I7-3720QM CPU @ 2.60GHZ 8 8,217 65,736 Intel
9 CORE I5-4570 CPU @ 3.20GHZ 4 14,539 58,156 Intel
10 RYZEN 3 3200G 4 11,756 47,024 AMD
11 CORE I5-3570 CPU @ 3.40GHZ 4 9,603 38,412 Intel
12 CORE I5-4690K CPU @ 3.50GHZ 4 8,632 34,528 Intel
13 CORE I5-3570K CPU @ 3.40GHZ 4 4,668 18,672 Intel