PROJECT #13428 RESEARCH FOR COVID-19
FOLDING PERFORMANCE PROFILE

PROJECT SUMMARY

https://www.youtube.com/watch?v=VnyaAmM1nhEThese projects are rapid sprints of relative alchemical free energy calculations for prioritizing compound designs from chemists from the COVID Moonshot for synthesis. Top-scoring molecules will be made and tested in a laboratory by the COVID Moonshot as it works to develop an open science patent-free inexpensive therapy for COVID-19 that shuts down the essential SARS-CoV-2 main viral protease

The COVID Moonshot has already made and tested hundreds of compounds, and is pursuing several good lead series. You can see their progress in real time here:
https://covid.postera.ai/covid/submissions/compounds

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): Dr. 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 Friday, 03 December 2021 04:36:12

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 6,063,606 293,020 20.69 1 hrs 10 mins
2 GeForce RTX 3080 10GB / 20GB
GA102 [GeForce RTX 3080 10GB / 20GB]
Nvidia GA102 4,506,410 266,085 16.94 1 hrs 25 mins
3 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,421,635 267,448 16.53 1 hrs 27 mins
4 TITAN RTX
TU102 [TITAN RTX] 16310
Nvidia TU102 3,985,335 259,504 15.36 2 hrs 34 mins
5 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 3,551,348 249,724 14.22 2 hrs 41 mins
6 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,085,221 236,268 13.06 2 hrs 50 mins
7 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 3,020,315 237,129 12.74 2 hrs 53 mins
8 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,944,909 232,655 12.66 2 hrs 54 mins
9 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 2,757,685 227,788 12.11 2 hrs 59 mins
10 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 2,504,719 213,534 11.73 2 hrs 3 mins
11 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 2,448,049 217,954 11.23 2 hrs 8 mins
12 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,419,236 218,277 11.08 2 hrs 10 mins
13 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,331,084 216,415 10.77 2 hrs 14 mins
14 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER]
Nvidia TU104 2,329,607 217,015 10.73 2 hrs 14 mins
15 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,238,058 213,013 10.51 2 hrs 17 mins
16 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,158,555 206,686 10.44 2 hrs 18 mins
17 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,120,946 207,990 10.20 2 hrs 21 mins
18 Quadro RTX 6000/8000
TU102GL [Quadro RTX 6000/8000]
Nvidia TU102GL 2,073,755 209,605 9.89 2 hrs 26 mins
19 Quadro RTX 4000
TU104GL [Quadro RTX 4000]
Nvidia TU104GL 1,767,956 194,641 9.08 3 hrs 39 mins
20 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 1,713,150 182,556 9.38 3 hrs 33 mins
21 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,658,826 193,133 8.59 3 hrs 48 mins
22 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,594,157 189,879 8.40 3 hrs 52 mins
23 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,370,747 179,958 7.62 3 hrs 9 mins
24 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile] 4608
Nvidia TU106M 1,368,657 182,171 7.51 3 hrs 12 mins
25 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,340,148 180,042 7.44 3 hrs 13 mins
26 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,301,444 177,265 7.34 3 hrs 16 mins
27 GeForce GTX Titan X
GM200 [GeForce GTX Titan X] 6144
Nvidia GM200 1,126,521 168,173 6.70 4 hrs 35 mins
28 GeForce GTX 980 Ti
GM200 [GeForce GTX 980 Ti] 5632
Nvidia GM200 1,085,881 167,756 6.47 4 hrs 42 mins
29 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,081,636 166,653 6.49 4 hrs 42 mins
30 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,064,303 166,727 6.38 4 hrs 46 mins
31 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 1,002,132 162,713 6.16 4 hrs 54 mins
32 GeForce RTX 2060 Mobile / Max-Q
TU106M [GeForce RTX 2060 Mobile / Max-Q] 4550
Nvidia TU106M 955,682 160,011 5.97 4 hrs 1 mins
33 Radeon RX 5600/5600 XT - 5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT / 5700/5700 XT]
AMD Navi 10 941,036 158,586 5.93 4 hrs 3 mins
34 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 821,510 149,469 5.50 4 hrs 22 mins
35 GeForce GTX 780 Ti
GK110 [GeForce GTX 780 Ti] 5046
Nvidia GK110 794,207 151,564 5.24 5 hrs 35 mins
36 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 790,196 148,906 5.31 5 hrs 31 mins
37 P104-100
GP104 [P104-100]
Nvidia GP104 769,162 149,925 5.13 5 hrs 41 mins
38 GeForce GTX 1070
GP104 [GeForce GTX 1070]
Nvidia GP104 758,879 149,029 5.09 5 hrs 43 mins
39 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 654,171 141,182 4.63 5 hrs 11 mins
40 GeForce GTX 1650 SUPER
TU116 [GeForce GTX 1650 SUPER]
Nvidia TU116 641,565 140,728 4.56 5 hrs 16 mins
41 Radeon RX 5600 OEM/5600 XT/5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]
AMD Navi 10 633,893 127,271 4.98 5 hrs 49 mins
42 GeForce GTX 1650 Ti Mobile
TU116M [GeForce GTX 1650 Ti Mobile]
Nvidia TU116M 612,421 137,725 4.45 5 hrs 24 mins
43 GeForce GTX 970
GM204 [GeForce GTX 970] 3494
Nvidia GM204 601,364 138,321 4.35 6 hrs 31 mins
44 P106-100
GP106 [P106-100]
Nvidia GP106 576,662 135,876 4.24 6 hrs 39 mins
45 GeForce GTX 1650
TU116 [GeForce GTX 1650] 2984
Nvidia TU116 571,896 135,882 4.21 6 hrs 42 mins
46 Radeon R9 Fury X
Fiji XT [Radeon R9 Fury X]
AMD Fiji XT 569,818 135,532 4.20 6 hrs 43 mins
47 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 554,804 134,834 4.11 6 hrs 50 mins
48 Radeon R9 200/300X Series
Hawaii [Radeon R9 200/300X Series]
AMD Hawaii 462,830 126,273 3.67 7 hrs 33 mins
49 Radeon RX 5500/5500M / Pro 5500M
Navi 14 [Radeon RX 5500/5500M / Pro 5500M]
AMD Navi 14 460,946 124,819 3.69 6 hrs 30 mins
50 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 435,666 120,883 3.60 7 hrs 40 mins
51 Quadro T1000 Mobile
TU117GLM [Quadro T1000 Mobile]
Nvidia TU117GLM 402,305 121,347 3.32 7 hrs 14 mins
52 P106-090
GP106 [P106-090]
Nvidia GP106 356,480 116,075 3.07 8 hrs 49 mins
53 Radeon R9 200/300 Series
Hawaii [Radeon R9 200/300 Series]
AMD Hawaii 290,896 101,658 2.86 8 hrs 23 mins
54 GeForce GTX 1050 Mobile
GP107M [GeForce GTX 1050 Mobile]
Nvidia GP107M 230,842 100,823 2.29 10 hrs 29 mins
55 Quadro P1000
GP107GL [Quadro P1000]
Nvidia GP107GL 198,081 95,523 2.07 12 hrs 34 mins
56 Radeon HD 7790
Bonaire XT [Radeon HD 7790]
AMD Bonaire XT 109,290 74,353 1.47 16 hrs 20 mins
57 Ryzen vega 8 mobile
Raven [Ryzen vega 8 mobile]
AMD Raven 43,656 54,400 0.80 30 hrs 54 mins
58 Radeon RX Vega M XL
[Radeon RX Vega M XL]
AMD Vega 32,319 54,400 0.59 40 hrs 24 mins
59 Radeon RX Vega gfx902
raven [Radeon RX Vega gfx902]
AMD raven 14,069 54,400 0.26 93 hrs 48 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Friday, 03 December 2021 04:36:12

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