PROJECT #13429 RESEARCH FOR COVID-19
FOLDING PERFORMANCE PROFILE
PROJECT SUMMARY
https://www.youtube.com/watch?v=VnyaAmM1nhEThese projects are rapid sprints of relative alchemical free energy calculations for prioritizing compound designs from chemists from the COVID Moonshot for synthesis.
Top-scoring molecules will be made and tested in a laboratory by the COVID Moonshot as it works to develop an open science patent-free inexpensive therapy for COVID-19 that shuts down the essential SARS-CoV-2 main viral protease.
The COVID Moonshot has already made and tested hundreds of compounds, and is pursuing several good lead series.
You can see their progress in real time here:
https://covid.postera.ai/covid/submissions/compounds
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): Dr. John Chodera
Institution: Memorial Sloan Kettering Cancer Center
Project URL: http://choderalab.org
PROJECT WORK UNIT SUMMARY
Atoms: 4,082
Core: OPENMM_22
Status: Beta
PROJECT FOLDING PPD AVERAGES BY GPU
PPDDB data as of Monday, 03 October 2022 12:16:47
|
Rank Project |
Model Name Folding@Home Identifier |
Make Brand |
GPU Model |
PPD Average |
Points WU Average |
WUs Day Average |
WU Time Average |
|---|---|---|---|---|---|---|---|
| 1 | GeForce GTX 1070 Mobile GP104M [GeForce GTX 1070 Mobile] |
Nvidia | GP104M | 949,816 | 18,306 | 51.89 | 0 hrs 28 mins |
| 2 | GeForce GTX 1080 Mobile GP104M [GeForce GTX 1080 Mobile] |
Nvidia | GP104M | 898,268 | 17,180 | 52.29 | 0 hrs 28 mins |
| 3 | GeForce GTX 960 GM206 [GeForce GTX 960] 2308 |
Nvidia | GM206 | 724,516 | 16,722 | 43.33 | 1 hrs 33 mins |
| 4 | GeForce GTX 970 GM204 [GeForce GTX 970] 3494 |
Nvidia | GM204 | 666,624 | 16,133 | 41.32 | 1 hrs 35 mins |
| 5 | GeForce GTX 980 GM204 [GeForce GTX 980] 4612 |
Nvidia | GM204 | 574,118 | 15,460 | 37.14 | 1 hrs 39 mins |
| 6 | GeForce GTX 1050 Ti Mobile GP107M [GeForce GTX 1050 Ti Mobile] |
Nvidia | GP107M | 554,904 | 15,394 | 36.05 | 1 hrs 40 mins |
| 7 | GeForce GTX 660 Ti GK104 [GeForce GTX 660 Ti] 2634 |
Nvidia | GK104 | 354,515 | 12,868 | 27.55 | 1 hrs 52 mins |
| 8 | GeForce GTX 780 Ti GK110 [GeForce GTX 780 Ti] 5046 |
Nvidia | GK110 | 347,615 | 12,865 | 27.02 | 1 hrs 53 mins |
| 9 | GeForce GTX 750 Ti GM107 [GeForce GTX 750 Ti] 1389 |
Nvidia | GM107 | 334,614 | 12,914 | 25.91 | 1 hrs 56 mins |
| 10 | GeForce GT 1030 GP108 [GeForce GT 1030] 1127 |
Nvidia | GP108 | 285,992 | 12,154 | 23.53 | 1 hrs 1 mins |
| 11 | GeForce GTX 760 GK104 [GeForce GTX 760] 2258 |
Nvidia | GK104 | 278,024 | 11,757 | 23.65 | 1 hrs 1 mins |
| 12 | Radeon RX Vega 56/64 Vega 10 XL/XT [Radeon RX Vega 56/64] |
AMD | Vega 10 XL/XT | 246,340 | 11,395 | 21.62 | 1 hrs 7 mins |
| 13 | Quadro K4200 GK104 [Quadro K4200] |
Nvidia | GK104 | 238,465 | 11,508 | 20.72 | 1 hrs 9 mins |
| 14 | Quadro P620 GP107GL [Quadro P620] |
Nvidia | GP107GL | 236,675 | 11,302 | 20.94 | 1 hrs 9 mins |
| 15 | Radeon VII Vega 20 [Radeon VII] 13,284 |
AMD | Vega 20 | 214,241 | 10,913 | 19.63 | 1 hrs 13 mins |
| 16 | Radeon RX 470/480/570/580/590 Ellesmere XT [Radeon RX 470/480/570/580/590] |
AMD | Ellesmere XT | 187,077 | 10,550 | 17.73 | 1 hrs 21 mins |
| 17 | GRID M40 GM107GL [GRID M40] |
Nvidia | GM107GL | 186,007 | 10,685 | 17.41 | 1 hrs 23 mins |
| 18 | GeForce GTX 960M GM107 [GeForce GTX 960M] 1439 |
Nvidia | GM107 | 172,084 | 10,276 | 16.75 | 1 hrs 26 mins |
| 19 | GeForce MX150 GP108 [GeForce MX150] |
Nvidia | GP108 | 169,658 | 10,132 | 16.74 | 1 hrs 26 mins |
| 20 | GeForce GTX 770 GK104 [GeForce GTX 770] 3213 |
Nvidia | GK104 | 140,326 | 9,752 | 14.39 | 2 hrs 40 mins |
| 21 | GeForce MX250 GP108M [GeForce MX250] |
Nvidia | GP108M | 137,267 | 9,188 | 14.94 | 2 hrs 36 mins |
| 22 | Quadro K1200 GM107GL [Quadro K1200] |
Nvidia | GM107GL | 133,794 | 9,439 | 14.17 | 2 hrs 42 mins |
| 23 | Radeon R9 200/300X Series Hawaii [Radeon R9 200/300X Series] |
AMD | Hawaii | 131,984 | 9,387 | 14.06 | 2 hrs 42 mins |
| 24 | Radeon HD 7790 Bonaire XT [Radeon HD 7790] |
AMD | Bonaire XT | 131,052 | 9,513 | 13.78 | 2 hrs 45 mins |
| 25 | GeForce GTX 1050 Mobile GP107M [GeForce GTX 1050 Mobile] |
Nvidia | GP107M | 126,227 | 7,280 | 17.34 | 1 hrs 23 mins |
| 26 | Radeon R9 200/300 Series Hawaii [Radeon R9 200/300 Series] |
AMD | Hawaii | 124,351 | 8,748 | 14.21 | 2 hrs 41 mins |
| 27 | GeForce MX230 GP108M [GeForce MX230] |
Nvidia | GP108M | 119,970 | 9,005 | 13.32 | 2 hrs 48 mins |
| 28 | Quadro K620 GM107GL [Quadro K620] |
Nvidia | GM107GL | 117,017 | 8,942 | 13.09 | 2 hrs 50 mins |
| 29 | Radeon R9 280/HD 7900/8950 Tahiti PRO [Radeon R9 280/HD 7900/8950] |
AMD | Tahiti PRO | 98,001 | 8,101 | 12.10 | 2 hrs 59 mins |
| 30 | Radeon HD 7800 Pitcairn [Radeon HD 7800] |
AMD | Pitcairn | 95,913 | 8,475 | 11.32 | 2 hrs 7 mins |
| 31 | Quadro K4000 GK104 [Quadro K4000] |
Nvidia | GK104 | 88,631 | 8,215 | 10.79 | 2 hrs 13 mins |
| 32 | GeForce GTX 560 Ti GF114 [GeForce GTX 560 Ti] |
Nvidia | GF114 | 83,945 | 8,124 | 10.33 | 2 hrs 19 mins |
| 33 | Ryzen vega 8 mobile Raven [Ryzen vega 8 mobile] |
AMD | Raven | 82,281 | 7,979 | 10.31 | 2 hrs 20 mins |
| 34 | Quadro K5100M GK104 [Quadro K5100M] |
Nvidia | GK104 | 81,932 | 7,223 | 11.34 | 2 hrs 7 mins |
| 35 | Radeon R9 Fury X Fiji XT [Radeon R9 Fury X] |
AMD | Fiji XT | 80,915 | 7,949 | 10.18 | 2 hrs 21 mins |
| 36 | GeForce 920M GK208 [GeForce 920M] |
Nvidia | GK208 | 78,045 | 8,014 | 9.74 | 2 hrs 28 mins |
| 37 | Radeon R7 250X/HD 7700/8760 R575A [Radeon R7 250X/HD 7700/8760] |
AMD | R575A | 75,916 | 7,857 | 9.66 | 2 hrs 29 mins |
| 38 | GeForce GT 730 GK208B [GeForce GT 730] 692.7 |
Nvidia | GK208B | 74,095 | 7,789 | 9.51 | 3 hrs 31 mins |
| 39 | GeForce GTX 460 v2 GF114 [GeForce GTX 460 v2] 1045.6 |
Nvidia | GF114 | 65,249 | 7,102 | 9.19 | 3 hrs 37 mins |
| 40 | Radeon RX 460 Baffin XT [Radeon RX 460] |
AMD | Baffin XT | 55,456 | 4,172 | 13.29 | 2 hrs 48 mins |
| 41 | GeForce GT 640 GK107 [GeForce GT 640] 693 |
Nvidia | GK107 | 51,791 | 6,868 | 7.54 | 3 hrs 11 mins |
| 42 | GeForce GTX 550 Ti GF116 [GeForce GTX 550 Ti] 691 |
Nvidia | GF116 | 50,151 | 6,746 | 7.43 | 3 hrs 14 mins |
| 43 | Radeon RX Vega M XL [Radeon RX Vega M XL] |
AMD | Vega | 46,908 | 4,779 | 9.82 | 2 hrs 27 mins |
| 44 | GeForce GTS 450 GF106 [GeForce GTS 450] |
Nvidia | GF106 | 38,610 | 6,288 | 6.14 | 4 hrs 55 mins |
| 45 | GeForce GT 710 GK208B [GeForce GT 710] 366 |
Nvidia | GK208B | 33,584 | 6,030 | 5.57 | 4 hrs 19 mins |
| 46 | Radeon RX Vega gfx902 raven [Radeon RX Vega gfx902] |
AMD | raven | 33,010 | 5,134 | 6.43 | 4 hrs 44 mins |
PROJECT FOLDING PPD AVERAGES BY CPU BETA
PPDDB data as of Monday, 03 October 2022 12:16:47
|
Rank Project |
CPU Model |
Logical Processors (LP) |
PPD-PLP AVG PPD per 1 LP |
ALL LP-PPD (Estimated) |
Make |
|---|