PROJECT #17311 FOLDING AT HOME PPD DATABASE

FOLDING FOR: COVID-19

PPDDB data as of Saturday, 28 November 2020 22:48:55

PROJECT SUMMARY

This project involves the SARS-CoV-2 receptor binding domain (RBD) and its target receptor in humans, ACE2. We are simulating mutants of these proteins in complex with each other (with glycosylation). The results from this study will help guide our understanding of how a natural mutation in the RBD (that arose in Scotland) impacts RBD:ACE2 binding as well as as antibody neutralization. Ultimately, the knowledge gained here will help infom drug design efforts.

 

PROJECT INFO

Manager(s): Ivy Zhang

Institution: Memorial Sloan Kettering Cancer Center

Project URL: http://www.choderalab.org/members/#ivy-zhang

PROJECT WORK UNIT SUMMARY

Atoms: 207,350

Core: OPENMM_22

Status: Public

PROJECT FOLDING PPD AVERAGES BY GPU

Model Make GPU PPD
(Average)
Points WU
(Average)
WUs Day
(Average)
WU Time
(Average)
GeForce RTX 3090 Nvidia GA102 6,061,700 318,481 19.03 1 hrs 16 mins
GeForce RTX 3080 10GB / 20GB Nvidia GA102 4,515,191 288,737 15.64 2 hrs 32 mins
TITAN RTX Nvidia TU102 4,400,576 288,036 15.28 2 hrs 34 mins
GeForce RTX 2080 Ti Rev. A Nvidia TU102 4,062,267 279,903 14.51 2 hrs 39 mins
Radeon RX 6800/6800 XT / 6900 XT AMD Navi 21 3,700,250 267,955 13.81 2 hrs 44 mins
GeForce RTX 2080 Ti Nvidia TU102 3,400,050 261,310 13.01 2 hrs 51 mins
GeForce RTX 3070 Nvidia GA104 2,929,017 250,166 11.71 2 hrs 3 mins
GeForce RTX 2080 Super Nvidia TU104 2,758,947 245,791 11.22 2 hrs 8 mins
GeForce RTX 2080 Rev. A Nvidia TU104 2,646,414 243,607 10.86 2 hrs 13 mins
GeForce RTX 2080 Nvidia TU104 2,585,438 240,863 10.73 2 hrs 14 mins
GeForce RTX 2070 SUPER Nvidia TU104 2,293,577 232,287 9.87 2 hrs 26 mins
GeForce RTX 2070 SUPER Nvidia TU104 2,261,397 229,345 9.86 2 hrs 26 mins
GeForce RTX 2070 Rev. A Nvidia TU106 2,066,087 223,486 9.24 3 hrs 36 mins
GeForce GTX 1080 Ti Nvidia GP102 1,985,400 218,855 9.07 3 hrs 39 mins
GeForce RTX 2060 Super Nvidia TU106 1,886,309 214,692 8.79 3 hrs 44 mins
GeForce RTX 2070 Nvidia TU106 1,830,742 210,564 8.69 3 hrs 46 mins
Quadro RTX 4000 Nvidia TU104GL 1,687,908 206,991 8.15 3 hrs 57 mins
Radeon VII AMD Vega 20 1,642,765 205,423 8.00 3 hrs 0 mins
GeForce RTX 2060 Nvidia TU104 1,549,465 202,158 7.66 3 hrs 8 mins
GeForce RTX 2060 Nvidia TU106 1,478,560 200,023 7.39 3 hrs 15 mins
GeForce GTX Titan X Nvidia GM200 1,302,772 192,132 6.78 4 hrs 32 mins
GeForce GTX 1080 Nvidia GP104 1,277,618 186,323 6.86 4 hrs 30 mins
GeForce GTX 1070 Ti Nvidia GP104 1,202,274 187,135 6.42 4 hrs 44 mins
GeForce GTX 1070 Nvidia GP104 1,109,780 178,982 6.20 4 hrs 52 mins
GeForce GTX 980 Ti Nvidia GM200 1,098,896 181,270 6.06 4 hrs 58 mins
Radeon RX Vega 56/64 AMD Vega 10 XL/XT 1,038,214 175,747 5.91 4 hrs 4 mins
GeForce GTX 1660 SUPER Nvidia TU116 1,019,252 176,801 5.76 4 hrs 10 mins
Radeon RX 5600/5600 XT - 5700/5700 XT AMD Navi 10 948,442 171,059 5.54 4 hrs 20 mins
GeForce GTX 1660 Ti Nvidia TU116 866,295 167,192 5.18 5 hrs 38 mins
GeForce RTX 2060 Mobile / Max-Q Nvidia TU106M 806,672 156,219 5.16 5 hrs 39 mins
GeForce GTX 1660 Nvidia TU116 793,041 162,863 4.87 5 hrs 56 mins
P104-100 Nvidia GP104 770,407 161,435 4.77 5 hrs 2 mins
GeForce GTX 1060 6GB Nvidia GP106 696,595 154,397 4.51 5 hrs 19 mins
GeForce GTX 1060 3GB Nvidia GP106 632,555 150,543 4.20 6 hrs 43 mins
Radeon R9 Fury X AMD Fiji XT 609,344 148,118 4.11 6 hrs 50 mins
P106-100 Nvidia GP106 558,408 144,711 3.86 6 hrs 13 mins
GeForce GTX 1650 SUPER Nvidia TU116 539,894 143,436 3.76 6 hrs 23 mins
Radeon RX 470/480/570/580/590 AMD Ellesmere XT 441,635 133,005 3.32 7 hrs 14 mins
Radeon R9 200/300X Series AMD Hawaii 426,494 132,092 3.23 7 hrs 26 mins
Radeon RX 5500/5500M / Pro 5500M AMD Navi 14 415,389 125,272 3.32 7 hrs 14 mins
GeForce GTX 1650 Nvidia TU116 414,015 131,189 3.16 8 hrs 36 mins
GeForce GTX 1650 Mobile / Max-Q Nvidia TU117M 399,462 130,052 3.07 8 hrs 49 mins
Quadro T1000 Mobile Nvidia TU117GLM 301,399 117,629 2.56 9 hrs 22 mins
P106-090 Nvidia GP106 289,634 116,510 2.49 10 hrs 39 mins
Radeon R9 200/300 Series AMD Hawaii 271,033 108,427 2.50 10 hrs 36 mins
Radeon R9 280/HD 7900/8950 AMD Tahiti PRO 219,699 101,871 2.16 11 hrs 8 mins
Radeon RX Vega M XL AMD Vega 149,685 83,849 1.79 13 hrs 27 mins
Radeon HD 7800 AMD Pitcairn 138,996 91,286 1.52 16 hrs 46 mins
Radeon R7 250X/HD 7700/8760 AMD R575A 62,237 69,862 0.89 27 hrs 56 mins
Ryzen vega 8 mobile AMD Raven 52,757 61,311 0.86 28 hrs 53 mins
Radeon RX Vega gfx902 AMD raven 49,652 64,399 0.77 31 hrs 8 mins
Radeon APU A4-6000 R2 AMD Mullins 4,379 49,514 0.09 271 hrs 22 mins

PROJECT FOLDING PPD AVERAGES BY CPU (BETA TEST)

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

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