PROJECT #13448 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 protease

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: Public

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Monday, 27 September 2021 17:59:07

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 6,808,594 307,171 22.17 1 hrs 5 mins
2 GeForce RTX 3080 Ti
GA102 [GeForce RTX 3080 Ti]
Nvidia GA102 6,368,983 296,359 21.49 1 hrs 7 mins
3 GeForce RTX 3080
GA102 [GeForce RTX 3080]
Nvidia GA102 5,110,160 281,979 18.12 1 hrs 19 mins
4 GeForce RTX 3080 10GB / 20GB
GA102 [GeForce RTX 3080 10GB / 20GB]
Nvidia GA102 4,847,471 275,959 17.57 1 hrs 22 mins
5 Quadro RTX 6000/8000
TU102GL [Quadro RTX 6000/8000]
Nvidia TU102GL 4,354,017 267,086 16.30 1 hrs 28 mins
6 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 4,237,565 264,004 16.05 1 hrs 30 mins
7 Radeon RX 6900 XT
Navi 21 [Radeon RX 6900 XT]
AMD Navi 21 4,104,203 262,095 15.66 2 hrs 32 mins
8 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 3,931,333 256,556 15.32 2 hrs 34 mins
9 GeForce RTX 3070 Ti
GA104 [GeForce RTX 3070 Ti]
Nvidia GA104 3,914,619 254,548 15.38 2 hrs 34 mins
10 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 3,314,907 243,362 13.62 2 hrs 46 mins
11 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,222,586 241,963 13.32 2 hrs 48 mins
12 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 3,151,643 239,715 13.15 2 hrs 50 mins
13 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,944,875 234,269 12.57 2 hrs 55 mins
14 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 2,891,509 232,248 12.45 2 hrs 56 mins
15 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 2,774,241 229,855 12.07 2 hrs 59 mins
16 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,716,343 228,287 11.90 2 hrs 1 mins
17 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,651,040 224,505 11.81 2 hrs 2 mins
18 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,566,783 223,807 11.47 2 hrs 6 mins
19 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 2,519,700 222,533 11.32 2 hrs 7 mins
20 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,223,524 211,743 10.50 2 hrs 17 mins
21 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 2,004,222 199,852 10.03 2 hrs 24 mins
22 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,925,248 203,696 9.45 3 hrs 32 mins
23 Radeon VII
Vega 20 [Radeon VII] 13,284
AMD Vega 20 1,881,846 202,273 9.30 3 hrs 35 mins
24 GeForce RTX 3060 Laptop GPU
GA106M [GeForce RTX 3060 Laptop GPU]
Nvidia GA106M 1,795,207 198,599 9.04 3 hrs 39 mins
25 GeForce RTX 3070 Mobile / Max-Q 8GB/16GB
GA104M [GeForce RTX 3070 Mobile / Max-Q 8GB/16GB]
Nvidia GA104M 1,751,771 196,895 8.90 3 hrs 42 mins
26 GeForce RTX 3060
GA106 [GeForce RTX 3060]
Nvidia GA106 1,741,135 195,700 8.90 3 hrs 42 mins
27 Radeon RX 6700/6700 XT / 6800M
Navi 22 [Radeon RX 6700/6700 XT / 6800M]
AMD Navi 22 1,729,183 193,538 8.93 3 hrs 41 mins
28 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,659,849 190,832 8.70 3 hrs 46 mins
29 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,635,068 186,688 8.76 3 hrs 44 mins
30 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,629,349 191,244 8.52 3 hrs 49 mins
31 GeForce RTX 3060 Mobile / Max-Q
GA106M [GeForce RTX 3060 Mobile / Max-Q]
Nvidia GA106M 1,588,455 184,683 8.60 3 hrs 47 mins
32 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 1,456,685 183,833 7.92 3 hrs 2 mins
33 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,382,792 181,740 7.61 3 hrs 9 mins
34 GeForce GTX 980 Ti
GM200 [GeForce GTX 980 Ti] 5632
Nvidia GM200 1,309,147 178,130 7.35 3 hrs 16 mins
35 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,230,282 171,150 7.19 3 hrs 20 mins
36 Radeon RX 5600 OEM/5600 XT/5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]
AMD Navi 10 1,196,733 172,620 6.93 3 hrs 28 mins
37 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,049,496 165,937 6.32 4 hrs 48 mins
38 Tesla M40
GM200GL [Tesla M40] 6844
Nvidia GM200GL 1,033,503 163,346 6.33 4 hrs 48 mins
39 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 1,025,207 164,866 6.22 4 hrs 52 mins
40 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 806,202 152,082 5.30 5 hrs 32 mins
41 P104-100
GP104 [P104-100]
Nvidia GP104 796,294 151,632 5.25 5 hrs 34 mins
42 GeForce GTX 1650 SUPER
TU116 [GeForce GTX 1650 SUPER]
Nvidia TU116 760,817 149,442 5.09 5 hrs 43 mins
43 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 759,416 148,476 5.11 5 hrs 42 mins
44 Radeon R9 Fury X
Fiji XT [Radeon R9 Fury X]
AMD Fiji XT 731,418 142,664 5.13 5 hrs 41 mins
45 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 646,397 141,533 4.57 5 hrs 15 mins
46 GeForce GTX 1650
TU117 [GeForce GTX 1650] 3091
Nvidia TU117 586,216 127,158 4.61 5 hrs 12 mins
47 P106-100
GP106 [P106-100]
Nvidia GP106 576,992 136,076 4.24 6 hrs 40 mins
48 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 539,336 131,039 4.12 6 hrs 50 mins
49 Quadro T2000 Mobile / Max-Q
TU117GLM [Quadro T2000 Mobile / Max-Q]
Nvidia TU117GLM 516,978 131,520 3.93 6 hrs 6 mins
50 GeForce GTX 1650 Ti Mobile
TU116M [GeForce GTX 1650 Ti Mobile]
Nvidia TU116M 514,485 129,141 3.98 6 hrs 1 mins
51 GeForce GTX 1650
TU116 [GeForce GTX 1650] 2984
Nvidia TU116 489,874 128,824 3.80 6 hrs 19 mins
52 Radeon R9 200/300X Series
Hawaii [Radeon R9 200/300X Series]
AMD Hawaii 404,691 121,212 3.34 7 hrs 11 mins
53 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 374,964 115,406 3.25 7 hrs 23 mins
54 Radeon R9 200/300 Series
Hawaii [Radeon R9 200/300 Series]
AMD Hawaii 358,919 103,481 3.47 7 hrs 55 mins
55 Radeon R9 200/300 Series
Tonga [Radeon R9 200/300 Series]
AMD Tonga 234,023 101,475 2.31 10 hrs 24 mins
56 Radeon RX Vega M XL
[Radeon RX Vega M XL]
AMD Vega 191,374 94,553 2.02 12 hrs 51 mins
57 Radeon RX 5500/5500M / Pro 5500M
Navi 14 [Radeon RX 5500/5500M / Pro 5500M]
AMD Navi 14 190,290 54,400 3.50 7 hrs 52 mins
58 Radeon R9 200 Series
Hawaii [Radeon R9 200 Series]
AMD Hawaii 148,698 86,635 1.72 14 hrs 59 mins
59 Quadro P1000
GP107GL [Quadro P1000]
Nvidia GP107GL 139,859 85,061 1.64 15 hrs 36 mins
60 Radeon RX Vega gfx902
raven [Radeon RX Vega gfx902]
AMD raven 97,161 57,685 1.68 14 hrs 15 mins
61 Radeon Rx 270/370
Curacao Pro [Radeon Rx 270/370]
AMD Curacao Pro 77,293 61,091 1.27 19 hrs 58 mins
62 Radeon R7/R6 360 Series
Bonaire [Radeon R7/R6 360 Series]
AMD Bonaire 72,249 61,511 1.17 20 hrs 26 mins
63 Polaris11
Baffin [Polaris11]
AMD Baffin 63,946 54,400 1.18 20 hrs 25 mins
64 Radeon R7 250/HD 7700
R575A [Radeon R7 250/HD 7700]
AMD R575A 32,083 54,400 0.59 41 hrs 42 mins
65 Ryzen vega 8 mobile
Raven [Ryzen vega 8 mobile]
AMD Raven 22,976 54,400 0.42 57 hrs 49 mins
66 Radeon APU A4-6000 R2
Mullins [Radeon APU A4-6000 R2]
AMD Mullins 6,825 54,400 0.13 191 hrs 18 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Monday, 27 September 2021 17:59:07

Rank
Project
CPU Model Logical
Processors (LP)
PPD-PLP
AVG PPD per 1 LP
ALL LP-PPD
(Estimated)
Make