PROJECT #13454 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 Friday, 30 July 2021 03:40:24

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 6,247,864 298,052 20.96 1 hrs 9 mins
2 GeForce RTX 3080 Ti
GA102 [GeForce RTX 3080 Ti]
Nvidia GA102 5,571,189 280,765 19.84 1 hrs 13 mins
3 GeForce RTX 3080 10GB / 20GB
GA102 [GeForce RTX 3080 10GB / 20GB]
Nvidia GA102 4,616,300 272,180 16.96 1 hrs 25 mins
4 GeForce RTX 3080
GA102 [GeForce RTX 3080]
Nvidia GA102 4,613,959 271,856 16.97 1 hrs 25 mins
5 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 4,240,629 263,537 16.09 1 hrs 29 mins
6 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 3,855,707 254,242 15.17 2 hrs 35 mins
7 GeForce RTX 3070 Ti
GA104 [GeForce RTX 3070 Ti]
Nvidia GA104 3,795,601 255,109 14.88 2 hrs 37 mins
8 Radeon RX 6900 XT
Navi 21 [Radeon RX 6900 XT]
AMD Navi 21 3,709,323 251,372 14.76 2 hrs 38 mins
9 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 3,147,483 239,692 13.13 2 hrs 50 mins
10 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,145,491 239,178 13.15 2 hrs 49 mins
11 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 3,114,212 238,160 13.08 2 hrs 50 mins
12 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,886,134 230,663 12.51 2 hrs 55 mins
13 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,771,867 229,806 12.06 2 hrs 59 mins
14 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 2,622,125 222,375 11.79 2 hrs 2 mins
15 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 2,605,827 224,766 11.59 2 hrs 4 mins
16 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,565,279 223,623 11.47 2 hrs 6 mins
17 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,562,946 224,095 11.44 2 hrs 6 mins
18 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 2,405,745 219,146 10.98 2 hrs 11 mins
19 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,123,999 208,611 10.18 2 hrs 21 mins
20 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,859,684 201,004 9.25 3 hrs 36 mins
21 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 1,843,353 197,349 9.34 3 hrs 34 mins
22 Radeon VII
Vega 20 [Radeon VII] 13,284
AMD Vega 20 1,725,170 196,389 8.78 3 hrs 44 mins
23 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,690,257 190,641 8.87 3 hrs 42 mins
24 GeForce RTX 3060
GA106 [GeForce RTX 3060]
Nvidia GA106 1,666,819 192,907 8.64 3 hrs 47 mins
25 GeForce RTX 3070 Mobile / Max-Q 8GB/16GB
GA104M [GeForce RTX 3070 Mobile / Max-Q 8GB/16GB]
Nvidia GA104M 1,646,382 192,861 8.54 3 hrs 49 mins
26 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,638,067 189,476 8.65 3 hrs 47 mins
27 Radeon RX 6700/6700 XT / 6800M
Navi 22 [Radeon RX 6700/6700 XT / 6800M]
AMD Navi 22 1,613,384 182,931 8.82 3 hrs 43 mins
28 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,558,369 189,093 8.24 3 hrs 55 mins
29 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,499,167 187,054 8.01 3 hrs 60 mins
30 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 1,368,360 176,364 7.76 3 hrs 6 mins
31 GeForce RTX 3060 Mobile / Max-Q
GA106M [GeForce RTX 3060 Mobile / Max-Q]
Nvidia GA106M 1,353,433 171,479 7.89 3 hrs 2 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 1,275,009 176,034 7.24 3 hrs 19 mins
33 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,229,280 172,001 7.15 3 hrs 21 mins
34 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 1,132,404 170,635 6.64 4 hrs 37 mins
35 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,047,955 166,353 6.30 4 hrs 49 mins
36 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 926,946 159,322 5.82 4 hrs 8 mins
37 GeForce GTX 980 Ti
GM200 [GeForce GTX 980 Ti] 5632
Nvidia GM200 879,138 131,596 6.68 4 hrs 36 mins
38 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 820,105 152,526 5.38 4 hrs 28 mins
39 P104-100
GP104 [P104-100]
Nvidia GP104 789,323 151,190 5.22 5 hrs 36 mins
40 GeForce GTX 1650 SUPER
TU116 [GeForce GTX 1650 SUPER]
Nvidia TU116 674,511 143,311 4.71 5 hrs 6 mins
41 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 606,308 138,672 4.37 5 hrs 29 mins
42 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 597,577 136,796 4.37 5 hrs 30 mins
43 P106-100
GP106 [P106-100]
Nvidia GP106 581,561 136,380 4.26 6 hrs 38 mins
44 Quadro T2000 Mobile / Max-Q
TU117GLM [Quadro T2000 Mobile / Max-Q]
Nvidia TU117GLM 485,723 128,785 3.77 6 hrs 22 mins
45 GeForce GTX 1650
TU116 [GeForce GTX 1650] 2984
Nvidia TU116 434,679 119,740 3.63 7 hrs 37 mins
46 Radeon R9 200/300X Series
Hawaii [Radeon R9 200/300X Series]
AMD Hawaii 428,927 123,380 3.48 7 hrs 54 mins
47 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 382,104 117,549 3.25 7 hrs 23 mins
48 Radeon RX Vega gfx902
raven [Radeon RX Vega gfx902]
AMD raven 341,571 74,748 4.57 5 hrs 15 mins
49 Radeon R9 Fury X
Fiji XT [Radeon R9 Fury X]
AMD Fiji XT 274,743 69,134 3.97 6 hrs 2 mins
50 Radeon R9 200/300 Series
Tonga [Radeon R9 200/300 Series]
AMD Tonga 227,670 100,151 2.27 11 hrs 33 mins
51 Radeon RX Vega M XL
[Radeon RX Vega M XL]
AMD Vega 201,537 95,870 2.10 11 hrs 25 mins
52 Radeon R9 200 Series
Hawaii [Radeon R9 200 Series]
AMD Hawaii 151,444 87,848 1.72 14 hrs 55 mins
53 Quadro P1000
GP107GL [Quadro P1000]
Nvidia GP107GL 132,442 83,374 1.59 15 hrs 6 mins
54 Radeon R7/R6 360 Series
Bonaire [Radeon R7/R6 360 Series]
AMD Bonaire 64,740 54,400 1.19 20 hrs 10 mins
55 Radeon R9 200/HD 7900/8970
Tahiti XT [Radeon R9 200/HD 7900/8970]
AMD Tahiti XT 34,458 58,597 0.59 41 hrs 49 mins
56 Radeon R7 250/HD 7700
R575A [Radeon R7 250/HD 7700]
AMD R575A 22,838 54,400 0.42 57 hrs 10 mins
57 Radeon APU A4-6000 R2
Mullins [Radeon APU A4-6000 R2]
AMD Mullins 10,955 54,400 0.20 119 hrs 11 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Friday, 30 July 2021 03:40:24

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