PROJECT #13428 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: 89,709
Core: OPENMM_22
Status: Beta
PROJECT FOLDING PPD AVERAGES BY GPU
PPDDB data as of Thursday, 15 April 2021 20:35:59
|
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 | 6,063,606 | 293,020 | 20.69 | 1 hrs 10 mins |
| 2 | GeForce RTX 3080 10GB / 20GB GA102 [GeForce RTX 3080 10GB / 20GB] |
Nvidia | GA102 | 4,506,410 | 266,085 | 16.94 | 1 hrs 25 mins |
| 3 | GeForce RTX 2080 Ti Rev. A TU102 [GeForce RTX 2080 Ti Rev. A] M 13448 |
Nvidia | TU102 | 4,421,635 | 267,448 | 16.53 | 1 hrs 27 mins |
| 4 | TITAN RTX TU102 [TITAN RTX] 16310 |
Nvidia | TU102 | 3,985,335 | 259,504 | 15.36 | 2 hrs 34 mins |
| 5 | GeForce RTX 2080 Ti TU102 [GeForce RTX 2080 Ti] M 13448 |
Nvidia | TU102 | 3,551,348 | 249,724 | 14.22 | 2 hrs 41 mins |
| 6 | GeForce RTX 3070 GA104 [GeForce RTX 3070] |
Nvidia | GA104 | 3,085,221 | 236,268 | 13.06 | 2 hrs 50 mins |
| 7 | GeForce RTX 2080 Rev. A TU104 [GeForce RTX 2080 Rev. A] 10068 |
Nvidia | TU104 | 3,020,315 | 237,129 | 12.74 | 2 hrs 53 mins |
| 8 | GeForce RTX 2080 Super TU104 [GeForce RTX 2080 SUPER] |
Nvidia | TU104 | 2,944,909 | 232,655 | 12.66 | 2 hrs 54 mins |
| 9 | Radeon RX 6800/6800 XT / 6900 XT Navi 21 [Radeon RX 6800/6800 XT / 6900 XT] |
AMD | Navi 21 | 2,757,685 | 227,788 | 12.11 | 2 hrs 59 mins |
| 10 | TITAN Xp GP102 [TITAN Xp] 12150 |
Nvidia | GP102 | 2,504,719 | 213,534 | 11.73 | 2 hrs 3 mins |
| 11 | GeForce RTX 3060 Ti GA104 [GeForce RTX 3060 Ti] |
Nvidia | GA104 | 2,448,049 | 217,954 | 11.23 | 2 hrs 8 mins |
| 12 | GeForce RTX 2080 TU104 [GeForce RTX 2080] |
Nvidia | TU104 | 2,419,236 | 218,277 | 11.08 | 2 hrs 10 mins |
| 13 | GeForce RTX 2070 Rev. A TU106 [GeForce RTX 2070 Rev. A] M 7465 |
Nvidia | TU106 | 2,331,084 | 216,415 | 10.77 | 2 hrs 14 mins |
| 14 | GeForce RTX 2070 SUPER TU104 [GeForce RTX 2070 SUPER] |
Nvidia | TU104 | 2,329,607 | 217,015 | 10.73 | 2 hrs 14 mins |
| 15 | GeForce GTX 1080 Ti GP102 [GeForce GTX 1080 Ti] 11380 |
Nvidia | GP102 | 2,238,058 | 213,013 | 10.51 | 2 hrs 17 mins |
| 16 | GeForce RTX 2070 SUPER TU104 [GeForce RTX 2070 SUPER] 8218 |
Nvidia | TU104 | 2,158,555 | 206,686 | 10.44 | 2 hrs 18 mins |
| 17 | GeForce RTX 2060 Super TU106 [GeForce RTX 2060 SUPER] |
Nvidia | TU106 | 2,120,946 | 207,990 | 10.20 | 2 hrs 21 mins |
| 18 | Quadro RTX 6000/8000 TU102GL [Quadro RTX 6000/8000] |
Nvidia | TU102GL | 2,073,755 | 209,605 | 9.89 | 2 hrs 26 mins |
| 19 | Quadro RTX 4000 TU104GL [Quadro RTX 4000] |
Nvidia | TU104GL | 1,767,956 | 194,641 | 9.08 | 3 hrs 39 mins |
| 20 | GeForce RTX 2070 TU106 [GeForce RTX 2070] M 6497 |
Nvidia | TU106 | 1,713,150 | 182,556 | 9.38 | 3 hrs 33 mins |
| 21 | GeForce RTX 2060 TU106 [Geforce RTX 2060] |
Nvidia | TU106 | 1,658,826 | 193,133 | 8.59 | 3 hrs 48 mins |
| 22 | GeForce RTX 2060 TU104 [GeForce RTX 2060] |
Nvidia | TU104 | 1,594,157 | 189,879 | 8.40 | 3 hrs 52 mins |
| 23 | GeForce GTX 1070 Ti GP104 [GeForce GTX 1070 Ti] 8186 |
Nvidia | GP104 | 1,370,747 | 179,958 | 7.62 | 3 hrs 9 mins |
| 24 | GeForce RTX 2060 Mobile TU106M [GeForce RTX 2060 Mobile] 4608 |
Nvidia | TU106M | 1,368,657 | 182,171 | 7.51 | 3 hrs 12 mins |
| 25 | GeForce GTX 1080 GP104 [GeForce GTX 1080] 8873 |
Nvidia | GP104 | 1,340,148 | 180,042 | 7.44 | 3 hrs 13 mins |
| 26 | GeForce GTX 1070 GP104 [GeForce GTX 1070] 6463 |
Nvidia | GP104 | 1,301,444 | 177,265 | 7.34 | 3 hrs 16 mins |
| 27 | GeForce GTX Titan X GM200 [GeForce GTX Titan X] 6144 |
Nvidia | GM200 | 1,126,521 | 168,173 | 6.70 | 4 hrs 35 mins |
| 28 | GeForce GTX 980 Ti GM200 [GeForce GTX 980 Ti] 5632 |
Nvidia | GM200 | 1,085,881 | 167,756 | 6.47 | 4 hrs 42 mins |
| 29 | GeForce GTX 1660 SUPER TU116 [GeForce GTX 1660 SUPER] |
Nvidia | TU116 | 1,081,636 | 166,653 | 6.49 | 4 hrs 42 mins |
| 30 | GeForce GTX 1660 Ti TU116 [GeForce GTX 1660 Ti] |
Nvidia | TU116 | 1,064,303 | 166,727 | 6.38 | 4 hrs 46 mins |
| 31 | Radeon RX Vega 56/64 Vega 10 XL/XT [Radeon RX Vega 56/64] |
AMD | Vega 10 XL/XT | 1,002,132 | 162,713 | 6.16 | 4 hrs 54 mins |
| 32 | GeForce RTX 2060 Mobile / Max-Q TU106M [GeForce RTX 2060 Mobile / Max-Q] 4550 |
Nvidia | TU106M | 955,682 | 160,011 | 5.97 | 4 hrs 1 mins |
| 33 | Radeon RX 5600/5600 XT - 5700/5700 XT Navi 10 [Radeon RX 5600 OEM/5600 XT / 5700/5700 XT] |
AMD | Navi 10 | 941,036 | 158,586 | 5.93 | 4 hrs 3 mins |
| 34 | GeForce GTX 1660 TU116 [GeForce GTX 1660] |
Nvidia | TU116 | 821,510 | 149,469 | 5.50 | 4 hrs 22 mins |
| 35 | GeForce GTX 780 Ti GK110 [GeForce GTX 780 Ti] 5046 |
Nvidia | GK110 | 794,207 | 151,564 | 5.24 | 5 hrs 35 mins |
| 36 | GeForce GTX 1060 6GB GP106 [GeForce GTX 1060 6GB] 4372 |
Nvidia | GP106 | 790,196 | 148,906 | 5.31 | 5 hrs 31 mins |
| 37 | P104-100 GP104 [P104-100] |
Nvidia | GP104 | 769,162 | 149,925 | 5.13 | 5 hrs 41 mins |
| 38 | GeForce GTX 1070 GP104 [GeForce GTX 1070] |
Nvidia | GP104 | 758,879 | 149,029 | 5.09 | 5 hrs 43 mins |
| 39 | GeForce GTX 1060 3GB GP106 [GeForce GTX 1060 3GB] 3935 |
Nvidia | GP106 | 654,171 | 141,182 | 4.63 | 5 hrs 11 mins |
| 40 | GeForce GTX 1650 SUPER TU116 [GeForce GTX 1650 SUPER] |
Nvidia | TU116 | 641,565 | 140,728 | 4.56 | 5 hrs 16 mins |
| 41 | Radeon RX 5600 OEM/5600 XT/5700/5700 XT Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT] |
AMD | Navi 10 | 633,893 | 127,271 | 4.98 | 5 hrs 49 mins |
| 42 | GeForce GTX 1650 Ti Mobile TU116M [GeForce GTX 1650 Ti Mobile] |
Nvidia | TU116M | 612,421 | 137,725 | 4.45 | 5 hrs 24 mins |
| 43 | GeForce GTX 970 GM204 [GeForce GTX 970] 3494 |
Nvidia | GM204 | 601,364 | 138,321 | 4.35 | 6 hrs 31 mins |
| 44 | P106-100 GP106 [P106-100] |
Nvidia | GP106 | 576,662 | 135,876 | 4.24 | 6 hrs 39 mins |
| 45 | GeForce GTX 1650 TU116 [GeForce GTX 1650] 2984 |
Nvidia | TU116 | 571,896 | 135,882 | 4.21 | 6 hrs 42 mins |
| 46 | Radeon R9 Fury X Fiji XT [Radeon R9 Fury X] |
AMD | Fiji XT | 569,818 | 135,532 | 4.20 | 6 hrs 43 mins |
| 47 | GeForce GTX 1650 Mobile / Max-Q TU117M [GeForce GTX 1650 Mobile / Max-Q] |
Nvidia | TU117M | 554,804 | 134,834 | 4.11 | 6 hrs 50 mins |
| 48 | Radeon R9 200/300X Series Hawaii [Radeon R9 200/300X Series] |
AMD | Hawaii | 462,830 | 126,273 | 3.67 | 7 hrs 33 mins |
| 49 | Radeon RX 5500/5500M / Pro 5500M Navi 14 [Radeon RX 5500/5500M / Pro 5500M] |
AMD | Navi 14 | 460,946 | 124,819 | 3.69 | 6 hrs 30 mins |
| 50 | Radeon RX 470/480/570/580/590 Ellesmere XT [Radeon RX 470/480/570/580/590] |
AMD | Ellesmere XT | 435,666 | 120,883 | 3.60 | 7 hrs 40 mins |
| 51 | Quadro T1000 Mobile TU117GLM [Quadro T1000 Mobile] |
Nvidia | TU117GLM | 402,305 | 121,347 | 3.32 | 7 hrs 14 mins |
| 52 | P106-090 GP106 [P106-090] |
Nvidia | GP106 | 356,480 | 116,075 | 3.07 | 8 hrs 49 mins |
| 53 | Radeon R9 200/300 Series Hawaii [Radeon R9 200/300 Series] |
AMD | Hawaii | 290,896 | 101,658 | 2.86 | 8 hrs 23 mins |
| 54 | GeForce GTX 1050 Mobile GP107M [GeForce GTX 1050 Mobile] |
Nvidia | GP107M | 230,842 | 100,823 | 2.29 | 10 hrs 29 mins |
| 55 | Quadro P1000 GP107GL [Quadro P1000] |
Nvidia | GP107GL | 198,081 | 95,523 | 2.07 | 12 hrs 34 mins |
| 56 | Radeon HD 7790 Bonaire XT [Radeon HD 7790] |
AMD | Bonaire XT | 109,290 | 74,353 | 1.47 | 16 hrs 20 mins |
| 57 | Ryzen vega 8 mobile Raven [Ryzen vega 8 mobile] |
AMD | Raven | 43,656 | 54,400 | 0.80 | 30 hrs 54 mins |
| 58 | Radeon RX Vega M XL [Radeon RX Vega M XL] |
AMD | Vega | 32,319 | 54,400 | 0.59 | 40 hrs 24 mins |
| 59 | Radeon RX Vega gfx902 raven [Radeon RX Vega gfx902] |
AMD | raven | 14,069 | 54,400 | 0.26 | 93 hrs 48 mins |
PROJECT FOLDING PPD AVERAGES BY CPU BETA
PPDDB data as of Thursday, 15 April 2021 20:35:59
|
Rank Project |
CPU Model |
Logical Processors (LP) |
PPD-PLP AVG PPD per 1 LP |
ALL LP-PPD (Estimated) |
Make |
|---|
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