PROJECT #18435 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
1 Radeon HD 5600 Series
Redwood [Radeon HD 5600 Series]
AMD Redwood 1,735 2,491 0.70 34 hrs 27 mins

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 11TH GEN CORE I9-11900K @ 3.50GHZ 16 24,700 395,200 Intel
2 CORE I7-9700K CPU @ 3.60GHZ 8 13,201 105,608 Intel
3 XEON CPU X5570 @ 2.93GHZ 16 4,040 64,640 Intel
4 CORE I5-7400 CPU @ 3.00GHZ 4 14,249 56,996 Intel
5 CORE I5-4590 CPU @ 3.30GHZ 4 11,014 44,056 Intel
6 CORE I7-4770HQ CPU @ 2.20GHZ 8 5,374 42,992 Intel
7 CORE I5-3570 CPU @ 3.40GHZ 4 8,289 33,156 Intel
8 XEON CPU E31245 @ 3.30GHZ 8 3,068 24,544 Intel