PROJECT #13432 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 17:52:59

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 5,139,018 344,972 14.90 2 hrs 37 mins
2 GeForce RTX 3080 10GB / 20GB
GA102 [GeForce RTX 3080 10GB / 20GB]
Nvidia GA102 3,984,388 312,557 12.75 2 hrs 53 mins
3 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 3,841,085 315,060 12.19 2 hrs 58 mins
4 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 3,145,409 301,134 10.45 2 hrs 18 mins
5 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 2,975,033 288,307 10.32 2 hrs 20 mins
6 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 2,914,613 287,737 10.13 2 hrs 22 mins
7 TITAN RTX
TU102 [TITAN RTX] 16310
Nvidia TU102 2,782,857 283,525 9.82 2 hrs 27 mins
8 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 2,699,299 275,907 9.78 2 hrs 27 mins
9 GeForce RTX 2080 SUPER Mobile / Max-Q
TU104M [GeForce RTX 2080 SUPER Mobile / Max-Q]
Nvidia TU104M 2,649,827 279,386 9.48 3 hrs 32 mins
10 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,452,362 272,680 8.99 3 hrs 40 mins
11 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 2,431,426 271,042 8.97 3 hrs 41 mins
12 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,210,602 264,169 8.37 3 hrs 52 mins
13 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,193,508 261,333 8.39 3 hrs 52 mins
14 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,068,818 254,074 8.14 3 hrs 57 mins
15 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,025,199 253,829 7.98 3 hrs 0 mins
16 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 1,948,577 251,775 7.74 3 hrs 6 mins
17 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 1,807,995 243,595 7.42 3 hrs 14 mins
18 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 1,713,752 184,466 9.29 3 hrs 35 mins
19 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,553,735 235,134 6.61 4 hrs 38 mins
20 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,483,048 234,044 6.34 4 hrs 47 mins
21 Radeon VII
Vega 20 [Radeon VII] 13,284
AMD Vega 20 1,405,514 224,545 6.26 4 hrs 50 mins
22 Quadro RTX 4000
TU104GL [Quadro RTX 4000]
Nvidia TU104GL 1,357,892 223,514 6.08 4 hrs 57 mins
23 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,270,100 219,601 5.78 4 hrs 9 mins
24 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,254,363 220,251 5.70 4 hrs 13 mins
25 Radeon RX 5600/5600 XT - 5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT / 5700/5700 XT]
AMD Navi 10 1,253,191 226,953 5.52 4 hrs 21 mins
26 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,213,973 214,804 5.65 4 hrs 15 mins
27 GeForce GTX Titan X
GM200 [GeForce GTX Titan X] 6144
Nvidia GM200 1,204,249 221,801 5.43 4 hrs 25 mins
28 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,119,648 209,346 5.35 4 hrs 29 mins
29 GeForce GTX 980 Ti
GM200 [GeForce GTX 980 Ti] 5632
Nvidia GM200 1,028,277 199,123 5.16 5 hrs 39 mins
30 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 924,325 196,854 4.70 5 hrs 7 mins
31 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 887,792 189,252 4.69 5 hrs 7 mins
32 Radeon RX 5600 OEM/5600 XT/5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]
AMD Navi 10 872,476 190,977 4.57 5 hrs 15 mins
33 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 771,785 180,425 4.28 6 hrs 37 mins
34 GeForce GTX 1650 Ti Mobile
TU116M [GeForce GTX 1650 Ti Mobile]
Nvidia TU116M 676,475 177,264 3.82 6 hrs 17 mins
35 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 606,706 171,077 3.55 7 hrs 46 mins
36 GeForce GTX 1650
TU116 [GeForce GTX 1650] 2984
Nvidia TU116 496,849 159,856 3.11 8 hrs 43 mins
37 Radeon R9 Fury X
Fiji XT [Radeon R9 Fury X]
AMD Fiji XT 492,178 157,793 3.12 8 hrs 42 mins
38 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 467,886 157,865 2.96 8 hrs 6 mins
39 GeForce GTX 1650 SUPER
TU116 [GeForce GTX 1650 SUPER]
Nvidia TU116 460,493 155,722 2.96 8 hrs 7 mins
40 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 449,021 154,792 2.90 8 hrs 16 mins
41 P104-100
GP104 [P104-100]
Nvidia GP104 412,295 150,453 2.74 9 hrs 45 mins
42 Radeon R9 200/300X Series
Hawaii [Radeon R9 200/300X Series]
AMD Hawaii 390,991 147,449 2.65 9 hrs 3 mins
43 Radeon R9 200/300 Series
Hawaii [Radeon R9 200/300 Series]
AMD Hawaii 365,969 139,753 2.62 9 hrs 10 mins
44 GeForce GTX 1050 LP
GP107 [GeForce GTX 1050 LP] 1862
Nvidia GP107 319,633 138,284 2.31 10 hrs 23 mins
45 P106-100
GP106 [P106-100]
Nvidia GP106 307,209 136,658 2.25 11 hrs 41 mins
46 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 283,864 133,088 2.13 11 hrs 15 mins
47 GeForce GTX 1050 Ti
GP107 [GeForce GTX 1050 Ti] 2138
Nvidia GP107 283,147 146,254 1.94 12 hrs 24 mins
48 Radeon R9 280/HD 7900/8950
Tahiti PRO [Radeon R9 280/HD 7900/8950]
AMD Tahiti PRO 241,760 125,981 1.92 13 hrs 30 mins
49 P106-090
GP106 [P106-090]
Nvidia GP106 233,516 124,357 1.88 13 hrs 47 mins
50 Quadro P1000
GP107GL [Quadro P1000]
Nvidia GP107GL 202,218 118,771 1.70 14 hrs 6 mins
51 Radeon HD 7800
Pitcairn [Radeon HD 7800]
AMD Pitcairn 149,785 107,526 1.39 17 hrs 14 mins
52 Radeon R9 200 Series
Hawaii [Radeon R9 200 Series]
AMD Hawaii 128,344 102,130 1.26 19 hrs 6 mins
53 Radeon RX 5500/5500M / Pro 5500M
Navi 14 [Radeon RX 5500/5500M / Pro 5500M]
AMD Navi 14 116,747 74,454 1.57 15 hrs 18 mins
54 Radeon HD 7790
Bonaire XT [Radeon HD 7790]
AMD Bonaire XT 108,617 96,527 1.13 21 hrs 20 mins
55 Radeon R7/R6 360 Series
Bonaire [Radeon R7/R6 360 Series]
AMD Bonaire 57,504 74,159 0.78 31 hrs 57 mins
56 Radeon R7 250/HD 7700
R575A [Radeon R7 250/HD 7700]
AMD R575A 40,087 68,970 0.58 41 hrs 18 mins
57 Ryzen 4900HS mobile
Renoir [Ryzen 4900HS mobile]
AMD Renoir 27,692 60,900 0.45 53 hrs 47 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Wednesday, 27 January 2021 17:53:00

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

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