PROJECT #13446 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 Thursday, 15 April 2021 20:52:26

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 5,743,609 289,232 19.86 1 hrs 13 mins
2 GeForce RTX 3080 10GB / 20GB
GA102 [GeForce RTX 3080 10GB / 20GB]
Nvidia GA102 4,687,814 269,388 17.40 1 hrs 23 mins
3 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,268,949 264,641 16.13 1 hrs 29 mins
4 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 3,806,251 254,980 14.93 2 hrs 36 mins
5 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 2,963,154 234,241 12.65 2 hrs 54 mins
6 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 2,944,125 233,031 12.63 2 hrs 54 mins
7 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 2,847,659 231,571 12.30 2 hrs 57 mins
8 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,835,319 231,281 12.26 2 hrs 57 mins
9 Quadro RTX 6000/8000
TU102GL [Quadro RTX 6000/8000]
Nvidia TU102GL 2,731,043 228,552 11.95 2 hrs 1 mins
10 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,712,422 228,070 11.89 2 hrs 1 mins
11 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,709,852 224,300 12.08 2 hrs 59 mins
12 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,625,409 223,800 11.73 2 hrs 3 mins
13 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 2,528,812 220,219 11.48 2 hrs 5 mins
14 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,500,883 222,508 11.24 2 hrs 8 mins
15 GeForce RTX 3070 Mobile / Max-Q
GA104M [GeForce RTX 3070 Mobile / Max-Q]
Nvidia GA104M 2,493,915 222,259 11.22 2 hrs 8 mins
16 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,085,561 208,151 10.02 2 hrs 24 mins
17 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,722,292 195,197 8.82 3 hrs 43 mins
18 GeForce RTX 3060
GA106 [GeForce RTX 3060]
Nvidia GA106 1,672,389 194,106 8.62 3 hrs 47 mins
19 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,625,998 188,740 8.62 3 hrs 47 mins
20 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 1,539,653 186,906 8.24 3 hrs 55 mins
21 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,433,041 183,488 7.81 3 hrs 4 mins
22 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,432,286 185,055 7.74 3 hrs 6 mins
23 Radeon VII
Vega 20 [Radeon VII] 13,284
AMD Vega 20 1,403,431 183,480 7.65 3 hrs 8 mins
24 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 1,320,846 175,231 7.54 3 hrs 11 mins
25 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,302,088 177,368 7.34 3 hrs 16 mins
26 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile] 4608
Nvidia TU106M 1,277,369 177,006 7.22 3 hrs 20 mins
27 Radeon RX 5600 OEM/5600 XT/5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]
AMD Navi 10 1,082,974 167,069 6.48 4 hrs 42 mins
28 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,059,043 165,473 6.40 4 hrs 45 mins
29 Tesla M40
GM200GL [Tesla M40] 6844
Nvidia GM200GL 1,046,734 166,256 6.30 4 hrs 49 mins
30 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 1,044,439 166,118 6.29 4 hrs 49 mins
31 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 997,440 163,612 6.10 4 hrs 56 mins
32 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 776,330 149,746 5.18 5 hrs 38 mins
33 P104-100
GP104 [P104-100]
Nvidia GP104 772,126 150,310 5.14 5 hrs 40 mins
34 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 754,939 147,572 5.12 5 hrs 41 mins
35 GeForce GTX 1650 SUPER
TU116 [GeForce GTX 1650 SUPER]
Nvidia TU116 712,190 144,337 4.93 5 hrs 52 mins
36 P106-100
GP106 [P106-100]
Nvidia GP106 539,312 133,260 4.05 6 hrs 56 mins
37 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 517,359 129,584 3.99 6 hrs 1 mins
38 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 482,432 127,911 3.77 6 hrs 22 mins
39 GeForce GTX 1650
TU116 [GeForce GTX 1650] 2984
Nvidia TU116 480,017 127,571 3.76 6 hrs 23 mins
40 Radeon R9 Fury X
Fiji XT [Radeon R9 Fury X]
AMD Fiji XT 449,171 122,200 3.68 7 hrs 32 mins
41 Quadro T2000 Mobile / Max-Q
TU117GLM [Quadro T2000 Mobile / Max-Q]
Nvidia TU117GLM 441,504 119,873 3.68 7 hrs 31 mins
42 GeForce GTX 1650 Ti Mobile
TU117M [GeForce GTX 1650 Ti Mobile]
Nvidia TU117M 374,032 116,878 3.20 7 hrs 30 mins
43 Radeon R9 200/300X Series
Hawaii [Radeon R9 200/300X Series]
AMD Hawaii 369,662 116,118 3.18 8 hrs 32 mins
44 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 344,213 108,328 3.18 8 hrs 33 mins
45 P106-090
GP106 [P106-090]
Nvidia GP106 333,015 113,094 2.94 8 hrs 9 mins
46 Radeon R9 200/300 Series
Hawaii [Radeon R9 200/300 Series]
AMD Hawaii 314,760 86,126 3.65 7 hrs 34 mins
47 Radeon R9 200/300 Series
Tonga [Radeon R9 200/300 Series]
AMD Tonga 227,510 99,536 2.29 11 hrs 30 mins
48 Radeon RX Vega M XL
[Radeon RX Vega M XL]
AMD Vega 146,954 77,494 1.90 13 hrs 39 mins
49 Radeon RX 460
Baffin XT [Radeon RX 460]
AMD Baffin XT 109,750 73,079 1.50 16 hrs 59 mins
50 Ryzen 4900HS mobile
Renoir [Ryzen 4900HS mobile]
AMD Renoir 90,560 65,189 1.39 17 hrs 17 mins
51 Radeon R7/R6 360 Series
Bonaire [Radeon R7/R6 360 Series]
AMD Bonaire 79,930 70,761 1.13 21 hrs 15 mins
52 Radeon RX Vega gfx902
raven [Radeon RX Vega gfx902]
AMD raven 55,299 54,400 1.02 24 hrs 37 mins
53 Ryzen vega 8 mobile
Raven [Ryzen vega 8 mobile]
AMD Raven 48,330 54,400 0.89 27 hrs 1 mins
54 Radeon APU A4-6000 R2
Mullins [Radeon APU A4-6000 R2]
AMD Mullins 5,365 54,400 0.10 243 hrs 21 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Thursday, 15 April 2021 20:52:26

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