PROJECT #13431 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, 28 July 2021 15:34:05

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 5,167,162 346,168 14.93 2 hrs 36 mins
2 GeForce RTX 3080 10GB / 20GB
GA102 [GeForce RTX 3080 10GB / 20GB]
Nvidia GA102 3,948,640 307,805 12.83 2 hrs 52 mins
3 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 3,866,092 316,516 12.21 2 hrs 58 mins
4 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 3,082,884 297,386 10.37 2 hrs 19 mins
5 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 2,948,470 290,525 10.15 2 hrs 22 mins
6 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 2,947,528 289,819 10.17 2 hrs 22 mins
7 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 2,906,466 285,340 10.19 2 hrs 21 mins
8 GeForce RTX 2080 SUPER Mobile / Max-Q
TU104M [GeForce RTX 2080 SUPER Mobile / Max-Q]
Nvidia TU104M 2,744,614 282,720 9.71 2 hrs 28 mins
9 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 2,517,300 274,369 9.17 3 hrs 37 mins
10 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,478,042 273,000 9.08 3 hrs 39 mins
11 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,211,510 261,806 8.45 3 hrs 50 mins
12 Quadro RTX 6000/8000
TU102GL [Quadro RTX 6000/8000]
Nvidia TU102GL 2,154,487 261,830 8.23 3 hrs 55 mins
13 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,120,510 258,109 8.22 3 hrs 55 mins
14 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,084,962 257,493 8.10 3 hrs 58 mins
15 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 2,012,641 217,302 9.26 3 hrs 35 mins
16 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 1,834,427 252,951 7.25 3 hrs 19 mins
17 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 1,811,518 243,888 7.43 3 hrs 14 mins
18 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 1,765,085 242,248 7.29 3 hrs 18 mins
19 Radeon VII
Vega 20 [Radeon VII] 13,284
AMD Vega 20 1,580,825 234,244 6.75 4 hrs 33 mins
20 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,504,224 230,072 6.54 4 hrs 40 mins
21 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,419,744 228,237 6.22 4 hrs 51 mins
22 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,364,687 225,077 6.06 4 hrs 57 mins
23 Quadro RTX 4000
TU104GL [Quadro RTX 4000]
Nvidia TU104GL 1,319,768 221,056 5.97 4 hrs 1 mins
24 Radeon RX 5600/5600 XT - 5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT / 5700/5700 XT]
AMD Navi 10 1,274,451 228,861 5.57 4 hrs 19 mins
25 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,274,221 219,012 5.82 4 hrs 8 mins
26 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,202,480 214,893 5.60 4 hrs 17 mins
27 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,191,055 212,895 5.59 4 hrs 17 mins
28 GeForce GTX 980 Ti
GM200 [GeForce GTX 980 Ti] 5632
Nvidia GM200 1,146,816 211,888 5.41 4 hrs 26 mins
29 GeForce GTX Titan X
GM200 [GeForce GTX Titan X] 6144
Nvidia GM200 1,021,362 202,552 5.04 5 hrs 46 mins
30 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 979,839 199,757 4.91 5 hrs 54 mins
31 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 909,679 195,504 4.65 5 hrs 9 mins
32 Radeon RX 5600 OEM/5600 XT/5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]
AMD Navi 10 886,569 193,485 4.58 5 hrs 14 mins
33 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 853,627 188,650 4.52 5 hrs 18 mins
34 GeForce GTX 1650 Ti Mobile
TU116M [GeForce GTX 1650 Ti Mobile]
Nvidia TU116M 676,254 177,294 3.81 6 hrs 18 mins
35 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 633,125 173,422 3.65 7 hrs 34 mins
36 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 629,631 172,663 3.65 7 hrs 35 mins
37 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 493,728 159,768 3.09 8 hrs 46 mins
38 GeForce GTX 1650
TU116 [GeForce GTX 1650] 2984
Nvidia TU116 453,453 154,757 2.93 8 hrs 11 mins
39 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 429,646 151,251 2.84 8 hrs 27 mins
40 Radeon R9 200/300 Series
Hawaii [Radeon R9 200/300 Series]
AMD Hawaii 419,745 145,684 2.88 8 hrs 20 mins
41 P104-100
GP104 [P104-100]
Nvidia GP104 398,740 148,889 2.68 9 hrs 58 mins
42 Radeon R9 200/300X Series
Hawaii [Radeon R9 200/300X Series]
AMD Hawaii 350,552 142,688 2.46 10 hrs 46 mins
43 Radeon R9 Fury X
Fiji XT [Radeon R9 Fury X]
AMD Fiji XT 319,999 133,273 2.40 10 hrs 60 mins
44 P106-100
GP106 [P106-100]
Nvidia GP106 311,542 137,218 2.27 11 hrs 34 mins
45 GeForce GTX 1050 LP
GP107 [GeForce GTX 1050 LP] 1862
Nvidia GP107 294,748 134,324 2.19 11 hrs 56 mins
46 P106-090
GP106 [P106-090]
Nvidia GP106 262,047 128,963 2.03 12 hrs 49 mins
47 Radeon R9 280/HD 7900/8950
Tahiti PRO [Radeon R9 280/HD 7900/8950]
AMD Tahiti PRO 231,961 124,196 1.87 13 hrs 51 mins
48 Quadro P1000
GP107GL [Quadro P1000]
Nvidia GP107GL 217,768 121,808 1.79 13 hrs 25 mins
49 GeForce GTX 1050 Ti
GP107 [GeForce GTX 1050 Ti] 2138
Nvidia GP107 208,366 125,336 1.66 14 hrs 26 mins
50 Radeon HD 7800
Pitcairn [Radeon HD 7800]
AMD Pitcairn 123,197 105,304 1.17 21 hrs 31 mins
51 Radeon RX Vega gfx902
raven [Radeon RX Vega gfx902]
AMD raven 76,166 86,074 0.88 27 hrs 7 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Wednesday, 28 July 2021 15:34:05

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