PROJECT #13440 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 Monday, 18 January 2021 18:15:22

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 5,875,924 293,029 20.05 1 hrs 12 mins
2 GeForce RTX 3080 10GB / 20GB
GA102 [GeForce RTX 3080 10GB / 20GB]
Nvidia GA102 5,199,691 283,182 18.36 1 hrs 18 mins
3 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,432,091 268,154 16.53 1 hrs 27 mins
4 TITAN RTX
TU102 [TITAN RTX] 16310
Nvidia TU102 4,122,358 262,636 15.70 2 hrs 32 mins
5 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 3,558,719 249,587 14.26 2 hrs 41 mins
6 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 3,431,453 246,659 13.91 2 hrs 44 mins
7 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,224,289 240,871 13.39 2 hrs 48 mins
8 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 3,054,804 235,153 12.99 2 hrs 51 mins
9 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,684,557 227,112 11.82 2 hrs 2 mins
10 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER]
Nvidia TU104 2,581,121 224,766 11.48 2 hrs 5 mins
11 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 2,528,143 222,464 11.36 2 hrs 7 mins
12 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,343,562 216,032 10.85 2 hrs 13 mins
13 Quadro RTX 6000/8000
TU102GL [Quadro RTX 6000/8000]
Nvidia TU102GL 2,292,446 217,239 10.55 2 hrs 16 mins
14 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 2,250,118 202,518 11.11 2 hrs 10 mins
15 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,092,593 207,752 10.07 2 hrs 23 mins
16 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 2,091,020 210,655 9.93 2 hrs 25 mins
17 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,038,377 204,496 9.97 2 hrs 24 mins
18 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 2,019,309 178,199 11.33 2 hrs 7 mins
19 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,877,046 202,060 9.29 3 hrs 35 mins
20 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,640,519 191,132 8.58 3 hrs 48 mins
21 Quadro RTX 4000
TU104GL [Quadro RTX 4000]
Nvidia TU104GL 1,623,179 192,271 8.44 3 hrs 51 mins
22 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,527,775 187,907 8.13 3 hrs 57 mins
23 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,354,596 180,869 7.49 3 hrs 12 mins
24 GeForce GTX Titan X
GM200 [GeForce GTX Titan X] 6144
Nvidia GM200 1,333,352 179,909 7.41 3 hrs 14 mins
25 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,234,351 168,506 7.33 3 hrs 17 mins
26 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,158,016 172,071 6.73 4 hrs 34 mins
27 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,082,411 167,147 6.48 4 hrs 42 mins
28 GeForce GTX 980 Ti
GM200 [GeForce GTX 980 Ti] 5632
Nvidia GM200 1,080,786 167,839 6.44 4 hrs 44 mins
29 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 999,981 164,232 6.09 4 hrs 56 mins
30 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 987,801 162,600 6.08 4 hrs 57 mins
31 Radeon RX 5600 OEM/5600 XT/5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]
AMD Navi 10 925,505 157,250 5.89 4 hrs 5 mins
32 P104-100
GP104 [P104-100]
Nvidia GP104 772,303 150,191 5.14 5 hrs 40 mins
33 GeForce GTX 1070
GP104 [GeForce GTX 1070]
Nvidia GP104 743,180 148,105 5.02 5 hrs 47 mins
34 GeForce GTX 1650 Ti Mobile
TU116M [GeForce GTX 1650 Ti Mobile]
Nvidia TU116M 709,541 146,037 4.86 5 hrs 56 mins
35 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 618,779 140,146 4.42 5 hrs 26 mins
36 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 597,237 122,106 4.89 5 hrs 54 mins
37 P106-100
GP106 [P106-100]
Nvidia GP106 543,953 133,588 4.07 6 hrs 54 mins
38 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 538,686 133,726 4.03 6 hrs 57 mins
39 Radeon R9 Fury X
Fiji XT [Radeon R9 Fury X]
AMD Fiji XT 456,659 126,263 3.62 7 hrs 38 mins
40 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 455,451 123,799 3.68 7 hrs 31 mins
41 Radeon R9 200/300 Series
Hawaii [Radeon R9 200/300 Series]
AMD Hawaii 394,169 119,298 3.30 7 hrs 16 mins
42 P106-090
GP106 [P106-090]
Nvidia GP106 337,423 113,990 2.96 8 hrs 6 mins
43 Quadro P1000
GP107GL [Quadro P1000]
Nvidia GP107GL 218,882 98,960 2.21 11 hrs 51 mins
44 Radeon HD 7790
Bonaire XT [Radeon HD 7790]
AMD Bonaire XT 93,837 70,323 1.33 18 hrs 59 mins
45 Ryzen vega 8 mobile
Raven [Ryzen vega 8 mobile]
AMD Raven 45,562 54,400 0.84 29 hrs 39 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Monday, 18 January 2021 18:15:22

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

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