PROJECT #13431 RESEARCH FOR COVID-19
FOLDING PERFORMANCE PROFILE
PROJECT SUMMARY
https://www.youtube.com/watch?v=VnyaAmM1nhE
These projects are to assist rapid sprints of relative alchemical free energy calculations for prioritizing compound designs from chemists from the COVID Moonshot for synthesis.
This series of projects simulates the SARS-CoV-2 main viral protease.
These projects collectively cover the entire set of X-ray structures collected by the COVID Moonshot, and more RUNs will be added as new structures are collected.
To learn more about what the Moonshot is and how it came about, you can read our blog post or watch this video.
In addition to helping us prioritize compounds, you can help us purchase more compounds for synthesis at cost from Enamine by sponsoring our GoFundMe page for patent-free open science COVID-19 drug discovery! This is a radical new approach to drug discovery that aims to rapidly produce inexpensive new therapies.
SARS-CoV-2 main viral potease (Mpro) with ligand bound, from the RCSB.
PROJECT INFO
Manager(s): Prof. John Chodera
Institution: Memorial Sloan Kettering Cancer Center
Project URL: http://choderalab.org
PROJECT WORK UNIT SUMMARY
Atoms: 89,709
Core: OPENMM_22
Status: Beta
PROJECT FOLDING PPD AVERAGES BY GPU
PPDDB data as of Thursday, 29 September 2022 00:15:55
|
Rank Project |
Model Name Folding@Home Identifier |
Make Brand |
GPU Model |
PPD Average |
Points WU Average |
WUs Day Average |
WU Time Average |
|---|---|---|---|---|---|---|---|
| 1 | GeForce RTX 3090 GA102 [GeForce RTX 3090] |
Nvidia | GA102 | 5,167,162 | 346,168 | 14.93 | 2 hrs 36 mins |
| 2 | GeForce RTX 3080 10GB / 20GB GA102 [GeForce RTX 3080 10GB / 20GB] |
Nvidia | GA102 | 3,948,640 | 307,805 | 12.83 | 2 hrs 52 mins |
| 3 | GeForce RTX 2080 Ti Rev. A TU102 [GeForce RTX 2080 Ti Rev. A] M 13448 |
Nvidia | TU102 | 3,866,092 | 316,516 | 12.21 | 2 hrs 58 mins |
| 4 | GeForce RTX 2080 Ti TU102 [GeForce RTX 2080 Ti] M 13448 |
Nvidia | TU102 | 3,082,884 | 297,386 | 10.37 | 2 hrs 19 mins |
| 5 | GeForce RTX 2080 Rev. A TU104 [GeForce RTX 2080 Rev. A] 10068 |
Nvidia | TU104 | 2,948,470 | 290,525 | 10.15 | 2 hrs 22 mins |
| 6 | Radeon RX 6800/6800 XT / 6900 XT Navi 21 [Radeon RX 6800/6800 XT / 6900 XT] |
AMD | Navi 21 | 2,947,528 | 289,819 | 10.17 | 2 hrs 22 mins |
| 7 | GeForce RTX 3070 GA104 [GeForce RTX 3070] |
Nvidia | GA104 | 2,906,466 | 285,340 | 10.19 | 2 hrs 21 mins |
| 8 | GeForce RTX 2080 SUPER Mobile / Max-Q TU104M [GeForce RTX 2080 SUPER Mobile / Max-Q] |
Nvidia | TU104M | 2,744,614 | 282,720 | 9.71 | 2 hrs 28 mins |
| 9 | GeForce RTX 3060 Ti GA104 [GeForce RTX 3060 Ti] |
Nvidia | GA104 | 2,517,300 | 274,369 | 9.17 | 3 hrs 37 mins |
| 10 | GeForce RTX 2080 Super TU104 [GeForce RTX 2080 SUPER] |
Nvidia | TU104 | 2,478,042 | 273,000 | 9.08 | 3 hrs 39 mins |
| 11 | GeForce RTX 2070 SUPER TU104 [GeForce RTX 2070 SUPER] 8218 |
Nvidia | TU104 | 2,211,510 | 261,806 | 8.45 | 3 hrs 50 mins |
| 12 | Quadro RTX 6000/8000 TU102GL [Quadro RTX 6000/8000] |
Nvidia | TU102GL | 2,154,487 | 261,830 | 8.23 | 3 hrs 55 mins |
| 13 | GeForce RTX 2070 Rev. A TU106 [GeForce RTX 2070 Rev. A] M 7465 |
Nvidia | TU106 | 2,120,510 | 258,109 | 8.22 | 3 hrs 55 mins |
| 14 | GeForce GTX 1080 Ti GP102 [GeForce GTX 1080 Ti] 11380 |
Nvidia | GP102 | 2,084,962 | 257,493 | 8.10 | 3 hrs 58 mins |
| 15 | TITAN Xp GP102 [TITAN Xp] 12150 |
Nvidia | GP102 | 2,012,641 | 217,302 | 9.26 | 3 hrs 35 mins |
| 16 | GeForce RTX 2080 TU104 [GeForce RTX 2080] |
Nvidia | TU104 | 1,834,427 | 252,951 | 7.25 | 3 hrs 19 mins |
| 17 | GeForce RTX 2070 TU106 [GeForce RTX 2070] M 6497 |
Nvidia | TU106 | 1,811,518 | 243,888 | 7.43 | 3 hrs 14 mins |
| 18 | GeForce RTX 2060 Super TU106 [GeForce RTX 2060 SUPER] |
Nvidia | TU106 | 1,765,085 | 242,248 | 7.29 | 3 hrs 18 mins |
| 19 | Radeon VII Vega 20 [Radeon VII] 13,284 |
AMD | Vega 20 | 1,580,825 | 234,244 | 6.75 | 4 hrs 33 mins |
| 20 | GeForce RTX 2060 TU104 [GeForce RTX 2060] |
Nvidia | TU104 | 1,504,224 | 230,072 | 6.54 | 4 hrs 40 mins |
| 21 | GeForce RTX 2060 TU106 [Geforce RTX 2060] |
Nvidia | TU106 | 1,419,744 | 228,237 | 6.22 | 4 hrs 51 mins |
| 22 | GeForce GTX 1070 Ti GP104 [GeForce GTX 1070 Ti] 8186 |
Nvidia | GP104 | 1,364,687 | 225,077 | 6.06 | 4 hrs 57 mins |
| 23 | Quadro RTX 4000 TU104GL [Quadro RTX 4000] |
Nvidia | TU104GL | 1,319,768 | 221,056 | 5.97 | 4 hrs 1 mins |
| 24 | Radeon RX 5600/5600 XT - 5700/5700 XT Navi 10 [Radeon RX 5600 OEM/5600 XT / 5700/5700 XT] |
AMD | Navi 10 | 1,274,451 | 228,861 | 5.57 | 4 hrs 19 mins |
| 25 | GeForce GTX 1080 GP104 [GeForce GTX 1080] 8873 |
Nvidia | GP104 | 1,274,221 | 219,012 | 5.82 | 4 hrs 8 mins |
| 26 | GeForce GTX 1660 Ti TU116 [GeForce GTX 1660 Ti] |
Nvidia | TU116 | 1,202,480 | 214,893 | 5.60 | 4 hrs 17 mins |
| 27 | GeForce GTX 1070 GP104 [GeForce GTX 1070] 6463 |
Nvidia | GP104 | 1,191,055 | 212,895 | 5.59 | 4 hrs 17 mins |
| 28 | GeForce GTX 980 Ti GM200 [GeForce GTX 980 Ti] 5632 |
Nvidia | GM200 | 1,146,816 | 211,888 | 5.41 | 4 hrs 26 mins |
| 29 | GeForce GTX Titan X GM200 [GeForce GTX Titan X] 6144 |
Nvidia | GM200 | 1,021,362 | 202,552 | 5.04 | 5 hrs 46 mins |
| 30 | GeForce GTX 1660 SUPER TU116 [GeForce GTX 1660 SUPER] |
Nvidia | TU116 | 979,839 | 199,757 | 4.91 | 5 hrs 54 mins |
| 31 | GeForce GTX 1660 TU116 [GeForce GTX 1660] |
Nvidia | TU116 | 909,679 | 195,504 | 4.65 | 5 hrs 9 mins |
| 32 | Radeon RX 5600 OEM/5600 XT/5700/5700 XT Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT] |
AMD | Navi 10 | 886,569 | 193,485 | 4.58 | 5 hrs 14 mins |
| 33 | Radeon RX Vega 56/64 Vega 10 XL/XT [Radeon RX Vega 56/64] |
AMD | Vega 10 XL/XT | 853,627 | 188,650 | 4.52 | 5 hrs 18 mins |
| 34 | GeForce GTX 1650 Ti Mobile TU116M [GeForce GTX 1650 Ti Mobile] |
Nvidia | TU116M | 676,254 | 177,294 | 3.81 | 6 hrs 18 mins |
| 35 | GeForce GTX 1060 3GB GP106 [GeForce GTX 1060 3GB] 3935 |
Nvidia | GP106 | 633,125 | 173,422 | 3.65 | 7 hrs 34 mins |
| 36 | GeForce GTX 1060 6GB GP106 [GeForce GTX 1060 6GB] 4372 |
Nvidia | GP106 | 629,631 | 172,663 | 3.65 | 7 hrs 35 mins |
| 37 | GeForce GTX 1650 Mobile / Max-Q TU117M [GeForce GTX 1650 Mobile / Max-Q] |
Nvidia | TU117M | 493,728 | 159,768 | 3.09 | 8 hrs 46 mins |
| 38 | GeForce GTX 1650 TU116 [GeForce GTX 1650] 2984 |
Nvidia | TU116 | 453,453 | 154,757 | 2.93 | 8 hrs 11 mins |
| 39 | Radeon RX 470/480/570/580/590 Ellesmere XT [Radeon RX 470/480/570/580/590] |
AMD | Ellesmere XT | 429,646 | 151,251 | 2.84 | 8 hrs 27 mins |
| 40 | Radeon R9 200/300 Series Hawaii [Radeon R9 200/300 Series] |
AMD | Hawaii | 419,745 | 145,684 | 2.88 | 8 hrs 20 mins |
| 41 | P104-100 GP104 [P104-100] |
Nvidia | GP104 | 398,740 | 148,889 | 2.68 | 9 hrs 58 mins |
| 42 | Radeon R9 200/300X Series Hawaii [Radeon R9 200/300X Series] |
AMD | Hawaii | 350,552 | 142,688 | 2.46 | 10 hrs 46 mins |
| 43 | Radeon R9 Fury X Fiji XT [Radeon R9 Fury X] |
AMD | Fiji XT | 319,999 | 133,273 | 2.40 | 10 hrs 60 mins |
| 44 | P106-100 GP106 [P106-100] |
Nvidia | GP106 | 311,542 | 137,218 | 2.27 | 11 hrs 34 mins |
| 45 | GeForce GTX 1050 LP GP107 [GeForce GTX 1050 LP] 1862 |
Nvidia | GP107 | 294,748 | 134,324 | 2.19 | 11 hrs 56 mins |
| 46 | P106-090 GP106 [P106-090] |
Nvidia | GP106 | 262,047 | 128,963 | 2.03 | 12 hrs 49 mins |
| 47 | Radeon R9 280/HD 7900/8950 Tahiti PRO [Radeon R9 280/HD 7900/8950] |
AMD | Tahiti PRO | 231,961 | 124,196 | 1.87 | 13 hrs 51 mins |
| 48 | Quadro P1000 GP107GL [Quadro P1000] |
Nvidia | GP107GL | 217,768 | 121,808 | 1.79 | 13 hrs 25 mins |
| 49 | GeForce GTX 1050 Ti GP107 [GeForce GTX 1050 Ti] 2138 |
Nvidia | GP107 | 208,366 | 125,336 | 1.66 | 14 hrs 26 mins |
| 50 | Radeon HD 7800 Pitcairn [Radeon HD 7800] |
AMD | Pitcairn | 123,197 | 105,304 | 1.17 | 21 hrs 31 mins |
| 51 | Radeon RX Vega gfx902 raven [Radeon RX Vega gfx902] |
AMD | raven | 76,166 | 86,074 | 0.88 | 27 hrs 7 mins |
PROJECT FOLDING PPD AVERAGES BY CPU BETA
PPDDB data as of Thursday, 29 September 2022 00:15:55
|
Rank Project |
CPU Model |
Logical Processors (LP) |
PPD-PLP AVG PPD per 1 LP |
ALL LP-PPD (Estimated) |
Make |
|---|