PROJECT #13434 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 Saturday, 17 April 2021 19:45:12

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 7,196,163 622,276 11.56 2 hrs 5 mins
2 GeForce RTX 3080 10GB / 20GB
GA102 [GeForce RTX 3080 10GB / 20GB]
Nvidia GA102 5,645,228 571,572 9.88 2 hrs 26 mins
3 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,877,724 553,592 8.81 3 hrs 43 mins
4 TITAN RTX
TU102 [TITAN RTX] 16310
Nvidia TU102 4,686,149 548,727 8.54 3 hrs 49 mins
5 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 3,971,076 541,848 7.33 3 hrs 16 mins
6 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 3,682,156 504,182 7.30 3 hrs 17 mins
7 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 3,666,017 496,140 7.39 3 hrs 15 mins
8 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,472,117 490,678 7.08 3 hrs 24 mins
9 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 3,188,280 481,818 6.62 4 hrs 38 mins
10 Quadro RTX 6000/8000
TU102GL [Quadro RTX 6000/8000]
Nvidia TU102GL 3,140,740 479,835 6.55 4 hrs 40 mins
11 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 3,113,806 475,145 6.55 4 hrs 40 mins
12 GeForce RTX 2080 SUPER Mobile / Max-Q
TU104M [GeForce RTX 2080 SUPER Mobile / Max-Q]
Nvidia TU104M 3,104,944 477,678 6.50 4 hrs 42 mins
13 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 2,998,902 469,465 6.39 4 hrs 45 mins
14 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,855,995 463,601 6.16 4 hrs 54 mins
15 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,787,056 456,645 6.10 4 hrs 56 mins
16 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,669,015 453,966 5.88 4 hrs 5 mins
17 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,430,439 436,449 5.57 4 hrs 19 mins
18 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 2,375,165 431,618 5.50 4 hrs 22 mins
19 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,212,877 422,399 5.24 5 hrs 35 mins
20 Radeon VII
Vega 20 [Radeon VII] 13,284
AMD Vega 20 2,083,866 404,657 5.15 5 hrs 40 mins
21 Quadro RTX 4000
TU104GL [Quadro RTX 4000]
Nvidia TU104GL 1,863,706 403,345 4.62 5 hrs 12 mins
22 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,718,116 384,899 4.46 5 hrs 23 mins
23 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,673,725 382,230 4.38 5 hrs 29 mins
24 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 1,567,507 378,189 4.14 6 hrs 47 mins
25 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,520,985 375,078 4.06 6 hrs 55 mins
26 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,482,321 362,583 4.09 6 hrs 52 mins
27 GeForce GTX Titan X
GM200 [GeForce GTX Titan X] 6144
Nvidia GM200 1,445,256 370,510 3.90 6 hrs 9 mins
28 Radeon RX 5600/5600 XT - 5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT / 5700/5700 XT]
AMD Navi 10 1,407,840 351,685 4.00 6 hrs 60 mins
29 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,389,522 349,982 3.97 6 hrs 3 mins
30 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,287,493 356,229 3.61 7 hrs 38 mins
31 GeForce GTX 980 Ti
GM200 [GeForce GTX 980 Ti] 5632
Nvidia GM200 1,267,509 353,941 3.58 7 hrs 42 mins
32 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,229,100 347,042 3.54 7 hrs 47 mins
33 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 1,039,162 330,024 3.15 8 hrs 37 mins
34 Radeon RX 5600 OEM/5600 XT/5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]
AMD Navi 10 981,594 318,494 3.08 8 hrs 47 mins
35 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 943,633 318,314 2.96 8 hrs 6 mins
36 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 934,692 315,074 2.97 8 hrs 5 mins
37 GeForce GTX 1650 Ti Mobile
TU116M [GeForce GTX 1650 Ti Mobile]
Nvidia TU116M 874,539 311,313 2.81 9 hrs 33 mins
38 GeForce GTX 1070
GP104 [GeForce GTX 1070]
Nvidia GP104 786,640 302,176 2.60 9 hrs 13 mins
39 P104-100
GP104 [P104-100]
Nvidia GP104 718,449 290,417 2.47 10 hrs 42 mins
40 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 715,624 292,925 2.44 10 hrs 49 mins
41 GeForce GTX 1650
TU116 [GeForce GTX 1650] 2984
Nvidia TU116 574,519 272,684 2.11 11 hrs 23 mins
42 Radeon R9 Fury X
Fiji XT [Radeon R9 Fury X]
AMD Fiji XT 547,224 219,143 2.50 10 hrs 37 mins
43 Radeon R9 200/300X Series
Hawaii [Radeon R9 200/300X Series]
AMD Hawaii 487,787 257,857 1.89 13 hrs 41 mins
44 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 484,475 256,745 1.89 13 hrs 43 mins
45 Radeon R9 200/300 Series
Hawaii [Radeon R9 200/300 Series]
AMD Hawaii 461,085 241,072 1.91 13 hrs 33 mins
46 Quadro T2000 Mobile / Max-Q
TU117GLM [Quadro T2000 Mobile / Max-Q]
Nvidia TU117GLM 413,272 201,071 2.06 12 hrs 41 mins
47 P106-100
GP106 [P106-100]
Nvidia GP106 397,636 241,039 1.65 15 hrs 33 mins
48 P106-090
GP106 [P106-090]
Nvidia GP106 289,122 217,239 1.33 18 hrs 2 mins
49 Radeon R9 280/HD 7900/8950
Tahiti PRO [Radeon R9 280/HD 7900/8950]
AMD Tahiti PRO 288,836 216,449 1.33 18 hrs 59 mins
50 Quadro P1000
GP107GL [Quadro P1000]
Nvidia GP107GL 274,259 212,896 1.29 19 hrs 38 mins
51 Quadro T1000 Mobile
TU117GLM [Quadro T1000 Mobile]
Nvidia TU117GLM 257,694 200,262 1.29 19 hrs 39 mins
52 GeForce GTX 1050 Ti
GP107 [GeForce GTX 1050 Ti] 2138
Nvidia GP107 236,598 194,272 1.22 20 hrs 42 mins
53 Radeon HD 7800
Pitcairn [Radeon HD 7800]
AMD Pitcairn 185,325 186,849 0.99 24 hrs 12 mins
54 Radeon RX Vega M XL
[Radeon RX Vega M XL]
AMD Vega 175,795 165,630 1.06 23 hrs 37 mins
55 Radeon R7 250/HD 7700
R575A [Radeon R7 250/HD 7700]
AMD R575A 48,715 125,550 0.39 62 hrs 51 mins
56 Ryzen 4900HS mobile
Renoir [Ryzen 4900HS mobile]
AMD Renoir 33,148 125,550 0.26 91 hrs 54 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Saturday, 17 April 2021 19:45:12

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