PROJECT #13460 RESEARCH FOR COVID-19
FOLDING PERFORMANCE PROFILE

PROJECT SUMMARY

https://www.youtube.com/watch?v=VnyaAmM1nhE These 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: Public

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Monday, 27 June 2022 11:45:28

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 6,615,182 304,747 21.71 1 hrs 6 mins
2 GeForce RTX 3080 Ti
GA102 [GeForce RTX 3080 Ti]
Nvidia GA102 6,222,541 299,585 20.77 1 hrs 9 mins
3 GeForce RTX 3080
GA102 [GeForce RTX 3080]
Nvidia GA102 5,192,593 283,026 18.35 1 hrs 18 mins
4 GeForce RTX 3080 Lite Hash Rate
GA102 [GeForce RTX 3080 Lite Hash Rate]
Nvidia GA102 4,951,661 273,137 18.13 1 hrs 19 mins
5 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,791,195 275,044 17.42 1 hrs 23 mins
6 GeForce RTX 3070 Ti
GA104 [GeForce RTX 3070 Ti]
Nvidia GA104 4,434,263 264,689 16.75 1 hrs 26 mins
7 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 4,216,736 259,196 16.27 1 hrs 29 mins
8 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 3,462,340 247,871 13.97 2 hrs 43 mins
9 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,334,209 241,847 13.79 2 hrs 44 mins
10 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 3,160,079 241,324 13.09 2 hrs 50 mins
11 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 3,081,085 235,393 13.09 2 hrs 50 mins
12 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,990,285 235,697 12.69 2 hrs 54 mins
13 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,808,212 230,655 12.17 2 hrs 58 mins
14 GeForce RTX 3060 Ti Lite Hash Rate
GA104 [GeForce RTX 3060 Ti Lite Hash Rate]
Nvidia GA104 2,779,123 211,970 13.11 2 hrs 50 mins
15 GeForce RTX 3060
GA106 [GeForce RTX 3060]
Nvidia GA106 2,655,782 223,478 11.88 2 hrs 1 mins
16 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 2,608,903 224,150 11.64 2 hrs 4 mins
17 Radeon RX 6900 XT
Navi 21 [Radeon RX 6900 XT]
AMD Navi 21 2,408,655 219,284 10.98 2 hrs 11 mins
18 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,317,288 215,773 10.74 2 hrs 14 mins
19 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 2,226,869 213,915 10.41 2 hrs 18 mins
20 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 2,210,100 212,979 10.38 2 hrs 19 mins
21 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 2,202,965 213,387 10.32 2 hrs 19 mins
22 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 2,056,147 193,699 10.62 2 hrs 16 mins
23 GeForce RTX 3060 Lite Hash Rate
GA106 [GeForce RTX 3060 Lite Hash Rate]
Nvidia GA106 1,968,217 205,926 9.56 3 hrs 31 mins
24 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,740,853 197,474 8.82 3 hrs 43 mins
25 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,364,759 177,336 7.70 3 hrs 7 mins
26 Radeon VII
Vega 20 [Radeon VII] 13,284
AMD Vega 20 1,338,348 180,956 7.40 3 hrs 15 mins
27 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,304,270 174,969 7.45 3 hrs 13 mins
28 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,272,089 175,129 7.26 3 hrs 18 mins
29 GeForce GTX 980 Ti
GM200 [GeForce GTX 980 Ti] 5632
Nvidia GM200 1,245,263 175,883 7.08 3 hrs 23 mins
30 Radeon RX 6700/6700 XT / 6800M
Navi 22 [Radeon RX 6700/6700 XT / 6800M]
AMD Navi 22 1,237,833 172,662 7.17 3 hrs 21 mins
31 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 967,520 161,870 5.98 4 hrs 1 mins
32 Radeon RX 5600 OEM/5600 XT/5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]
AMD Navi 10 899,031 153,885 5.84 4 hrs 6 mins
33 P104-100
GP104 [P104-100]
Nvidia GP104 798,181 151,603 5.26 5 hrs 34 mins
34 GeForce GTX 1650 SUPER
TU116 [GeForce GTX 1650 SUPER]
Nvidia TU116 601,190 138,685 4.33 6 hrs 32 mins
35 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 599,801 71,501 8.39 3 hrs 52 mins
36 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 518,626 130,857 3.96 6 hrs 3 mins
37 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 446,655 122,197 3.66 7 hrs 34 mins
38 GeForce GTX 1650
TU117 [GeForce GTX 1650]
Nvidia TU117 420,154 120,404 3.49 7 hrs 53 mins
39 T600
TU117GL [T600]
Intel TU117GL 332,561 111,687 2.98 8 hrs 4 mins
40 Radeon R9 Fury X
Fiji XT [Radeon R9 Fury X]
AMD Fiji XT 299,553 80,754 3.71 6 hrs 28 mins
41 Quadro P1000
GP107GL [Quadro P1000]
Nvidia GP107GL 224,075 99,329 2.26 11 hrs 38 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Monday, 27 June 2022 11:45:28

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