PROJECT #13433 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 protease

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 Wednesday, 27 January 2021 16:58:55

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 5,150,537 346,253 14.88 2 hrs 37 mins
2 GeForce RTX 3080 10GB / 20GB
GA102 [GeForce RTX 3080 10GB / 20GB]
Nvidia GA102 4,169,685 318,223 13.10 2 hrs 50 mins
3 TITAN RTX
TU102 [TITAN RTX] 16310
Nvidia TU102 4,148,828 324,106 12.80 2 hrs 52 mins
4 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 3,840,344 315,717 12.16 2 hrs 58 mins
5 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,007,940 288,860 10.41 2 hrs 18 mins
6 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 2,936,702 295,002 9.95 2 hrs 25 mins
7 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 2,902,891 300,074 9.67 2 hrs 29 mins
8 GeForce RTX 2080 SUPER Mobile / Max-Q
TU104M [GeForce RTX 2080 SUPER Mobile / Max-Q]
Nvidia TU104M 2,663,415 279,555 9.53 3 hrs 31 mins
9 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 2,661,153 279,989 9.50 3 hrs 32 mins
10 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 2,567,280 276,927 9.27 3 hrs 35 mins
11 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,538,785 276,081 9.20 3 hrs 37 mins
12 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 2,477,884 273,215 9.07 3 hrs 39 mins
13 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,190,472 262,963 8.33 3 hrs 53 mins
14 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,135,287 257,387 8.30 3 hrs 54 mins
15 Quadro RTX 6000/8000
TU102GL [Quadro RTX 6000/8000]
Nvidia TU102GL 2,089,317 272,126 7.68 3 hrs 8 mins
16 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,069,508 263,676 7.85 3 hrs 3 mins
17 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,041,248 257,385 7.93 3 hrs 2 mins
18 Radeon VII
Vega 20 [Radeon VII] 13,284
AMD Vega 20 1,853,519 262,701 7.06 3 hrs 24 mins
19 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 1,809,898 247,057 7.33 3 hrs 17 mins
20 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 1,625,506 236,276 6.88 3 hrs 29 mins
21 Quadro RTX 4000
TU104GL [Quadro RTX 4000]
Nvidia TU104GL 1,470,874 230,011 6.39 4 hrs 45 mins
22 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,460,466 235,200 6.21 4 hrs 52 mins
23 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,383,572 221,112 6.26 4 hrs 50 mins
24 Radeon RX 5600/5600 XT - 5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT / 5700/5700 XT]
AMD Navi 10 1,328,983 244,640 5.43 4 hrs 25 mins
25 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 1,308,348 220,965 5.92 4 hrs 3 mins
26 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,305,457 220,120 5.93 4 hrs 3 mins
27 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,239,289 220,424 5.62 4 hrs 16 mins
28 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,200,830 215,508 5.57 4 hrs 18 mins
29 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,164,244 212,461 5.48 4 hrs 23 mins
30 GeForce GTX Titan X
GM200 [GeForce GTX Titan X] 6144
Nvidia GM200 1,083,935 206,796 5.24 5 hrs 35 mins
31 GeForce GTX 980 Ti
GM200 [GeForce GTX 980 Ti] 5632
Nvidia GM200 1,026,928 203,782 5.04 5 hrs 46 mins
32 Radeon RX 5600 OEM/5600 XT/5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]
AMD Navi 10 971,140 198,508 4.89 5 hrs 54 mins
33 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 956,338 194,123 4.93 5 hrs 52 mins
34 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 826,314 188,463 4.38 5 hrs 28 mins
35 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 805,549 189,897 4.24 6 hrs 39 mins
36 GeForce GTX 1070
GP104 [GeForce GTX 1070]
Nvidia GP104 727,581 181,798 4.00 6 hrs 60 mins
37 GeForce GTX 1650 Ti Mobile
TU116M [GeForce GTX 1650 Ti Mobile]
Nvidia TU116M 669,820 176,625 3.79 6 hrs 20 mins
38 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 612,356 171,848 3.56 7 hrs 44 mins
39 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 592,142 169,676 3.49 7 hrs 53 mins
40 Quadro T2000 Mobile / Max-Q
TU117GLM [Quadro T2000 Mobile / Max-Q]
Nvidia TU117GLM 480,275 158,897 3.02 8 hrs 56 mins
41 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 444,635 151,177 2.94 8 hrs 10 mins
42 GeForce GTX 1650
TU116 [GeForce GTX 1650] 2984
Nvidia TU116 413,194 150,061 2.75 9 hrs 43 mins
43 Radeon R9 200/300X Series
Hawaii [Radeon R9 200/300X Series]
AMD Hawaii 400,020 149,089 2.68 9 hrs 57 mins
44 Radeon R9 Fury X
Fiji XT [Radeon R9 Fury X]
AMD Fiji XT 365,720 112,594 3.25 7 hrs 23 mins
45 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 350,680 142,935 2.45 10 hrs 47 mins
46 P106-100
GP106 [P106-100]
Nvidia GP106 321,090 138,485 2.32 10 hrs 21 mins
47 P106-090
GP106 [P106-090]
Nvidia GP106 266,658 129,774 2.05 12 hrs 41 mins
48 GeForce GTX 1050 Ti
GP107 [GeForce GTX 1050 Ti] 2138
Nvidia GP107 258,167 141,640 1.82 13 hrs 10 mins
49 Radeon R9 200/300 Series
Hawaii [Radeon R9 200/300 Series]
AMD Hawaii 255,511 122,626 2.08 12 hrs 31 mins
50 Radeon R9 280/HD 7900/8950
Tahiti PRO [Radeon R9 280/HD 7900/8950]
AMD Tahiti PRO 245,884 126,865 1.94 12 hrs 23 mins
51 Radeon RX 5500/5500M / Pro 5500M
Navi 14 [Radeon RX 5500/5500M / Pro 5500M]
AMD Navi 14 227,005 122,173 1.86 13 hrs 55 mins
52 Radeon R9 200/300 Series
Tonga [Radeon R9 200/300 Series]
AMD Tonga 198,052 118,086 1.68 14 hrs 19 mins
53 Radeon HD 7800
Pitcairn [Radeon HD 7800]
AMD Pitcairn 139,447 101,821 1.37 18 hrs 31 mins
54 Radeon R9 200 Series
Hawaii [Radeon R9 200 Series]
AMD Hawaii 136,138 103,089 1.32 18 hrs 10 mins
55 Radeon R7/R6 360 Series
Bonaire [Radeon R7/R6 360 Series]
AMD Bonaire 53,294 69,640 0.77 31 hrs 22 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Wednesday, 27 January 2021 16:58:56

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

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