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 |
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