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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.
Compare community-sampled Folding@Home output for the GPUs and CPUs processing this project.
|
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 | CORE I5-4690 CPU @ 3.50GHZ | 4 | 14,278 | 57,112 | Intel |
| 11 | RYZEN 3 3200G | 4 | 11,756 | 47,024 | AMD |
| 12 | CORE I5-3570 CPU @ 3.40GHZ | 4 | 9,603 | 38,412 | Intel |
| 13 | CORE I5-4690K CPU @ 3.50GHZ | 4 | 8,632 | 34,528 | Intel |
| 14 | CORE I5-3570K CPU @ 3.40GHZ | 4 | 4,668 | 18,672 | Intel |