PROJECT #18434 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: 4,091

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 3700X 8-CORE 16 8,104 129,664 AMD
2 CORE I7-7700 CPU @ 3.60GHZ 8 12,536 100,288 Intel
3 XEON CPU X5570 @ 2.93GHZ 16 5,550 88,800 Intel
4 CORE I5-6600K CPU @ 3.50GHZ 4 17,334 69,336 Intel
5 CORE I7-4770HQ CPU @ 2.20GHZ 8 8,159 65,272 Intel
6 CORE I5-7400 CPU @ 3.00GHZ 4 15,098 60,392 Intel
7 CORE I7-6700K CPU @ 4.00GHZ 8 6,809 54,472 Intel
8 CORE I5-4590 CPU @ 3.30GHZ 4 12,383 49,532 Intel
9 CORE I5-7600 CPU @ 3.50GHZ 4 9,754 39,016 Intel
10 CORE I5-4670 CPU @ 3.40GHZ 4 9,660 38,640 Intel
11 CORE I5-6300HQ CPU @ 2.30GHZ 4 6,045 24,180 Intel
12 FX-6100 SIX-CORE 6 1,219 7,314 AMD