PROJECT #13456 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, 27 September 2021 17:59:07

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 5,423,202 283,683 19.12 1 hrs 15 mins
2 GeForce RTX 3080 Ti
GA102 [GeForce RTX 3080 Ti]
Nvidia GA102 4,242,809 269,952 15.72 2 hrs 32 mins
3 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 3,826,207 254,611 15.03 2 hrs 36 mins
4 GeForce RTX 3080
GA102 [GeForce RTX 3080]
Nvidia GA102 3,386,817 244,879 13.83 2 hrs 44 mins
5 GeForce RTX 3080 Lite Hash Rate
GA102 [GeForce RTX 3080 Lite Hash Rate]
Nvidia GA102 3,118,665 239,981 13.00 2 hrs 51 mins
6 Radeon RX 6900 XT
Navi 21 [Radeon RX 6900 XT]
AMD Navi 21 3,071,435 237,216 12.95 2 hrs 51 mins
7 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 2,940,940 227,501 12.93 2 hrs 51 mins
8 GeForce RTX 3070 Ti
GA104 [GeForce RTX 3070 Ti]
Nvidia GA104 2,899,598 240,539 12.05 2 hrs 59 mins
9 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 2,885,773 239,882 12.03 2 hrs 60 mins
10 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,812,723 236,354 11.90 2 hrs 1 mins
11 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 2,722,638 226,011 12.05 2 hrs 60 mins
12 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 2,707,629 251,649 10.76 2 hrs 14 mins
13 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 2,484,546 220,075 11.29 2 hrs 8 mins
14 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,324,804 220,142 10.56 2 hrs 16 mins
15 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,244,283 212,620 10.56 2 hrs 16 mins
16 Tesla P40
GP102GL [Tesla P40] 11760
Nvidia GP102GL 2,223,540 214,254 10.38 2 hrs 19 mins
17 GeForce RTX 3070 Mobile / Max-Q 8GB/16GB
GA104M [GeForce RTX 3070 Mobile / Max-Q 8GB/16GB]
Nvidia GA104M 1,982,806 246,654 8.04 3 hrs 59 mins
18 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 1,972,324 201,557 9.79 2 hrs 27 mins
19 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 1,785,000 198,182 9.01 3 hrs 40 mins
20 GeForce RTX 3060 Mobile / Max-Q
GA106M [GeForce RTX 3060 Mobile / Max-Q]
Nvidia GA106M 1,767,074 194,627 9.08 3 hrs 39 mins
21 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,738,538 194,645 8.93 3 hrs 41 mins
22 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,727,161 198,821 8.69 3 hrs 46 mins
23 GeForce RTX 3060 Ti Lite Hash Rate
GA104 [GeForce RTX 3060 Ti Lite Hash Rate]
Nvidia GA104 1,716,069 195,558 8.78 3 hrs 44 mins
24 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 1,678,205 165,547 10.14 2 hrs 22 mins
25 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,345,247 180,881 7.44 3 hrs 14 mins
26 Radeon RX 6600/6600 XT/6600M
Navi 23 [Radeon RX 6600/6600 XT/6600M]
AMD Navi 23 1,325,529 179,488 7.39 3 hrs 15 mins
27 GeForce RTX 3060
GA106 [GeForce RTX 3060]
Nvidia GA106 1,270,829 177,581 7.16 3 hrs 21 mins
28 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,145,569 168,577 6.80 4 hrs 32 mins
29 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 1,113,887 174,686 6.38 4 hrs 46 mins
30 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,092,469 168,912 6.47 4 hrs 43 mins
31 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 1,077,727 166,448 6.47 4 hrs 42 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 1,057,641 164,500 6.43 4 hrs 44 mins
33 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 1,047,482 131,257 7.98 3 hrs 0 mins
34 Radeon RX 6700/6700 XT / 6800M
Navi 22 [Radeon RX 6700/6700 XT / 6800M]
AMD Navi 22 991,030 122,818 8.07 3 hrs 58 mins
35 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 699,742 146,445 4.78 5 hrs 1 mins
36 GeForce GTX 1650 SUPER
TU116 [GeForce GTX 1650 SUPER]
Nvidia TU116 682,762 138,319 4.94 5 hrs 52 mins
37 GeForce GTX 1650
TU116 [GeForce GTX 1650] 2984
Nvidia TU116 548,681 161,302 3.40 7 hrs 3 mins
38 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 492,679 129,459 3.81 6 hrs 18 mins
39 Radeon R9 200/300 Series
Hawaii [Radeon R9 200/300 Series]
AMD Hawaii 462,544 128,375 3.60 7 hrs 40 mins
40 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 453,493 135,625 3.34 7 hrs 11 mins
41 Quadro T2000 Mobile / Max-Q
TU117GLM [Quadro T2000 Mobile / Max-Q]
Nvidia TU117GLM 433,990 122,728 3.54 7 hrs 47 mins
42 Radeon R9 200/300X Series
Hawaii [Radeon R9 200/300X Series]
AMD Hawaii 264,077 109,180 2.42 10 hrs 55 mins
43 Radeon R9 200/300 Series
Tonga [Radeon R9 200/300 Series]
AMD Tonga 208,719 97,238 2.15 11 hrs 11 mins
44 Radeon R7/R6 360 Series
Bonaire [Radeon R7/R6 360 Series]
AMD Bonaire 66,339 56,886 1.17 21 hrs 35 mins
45 Ryzen vega 8 mobile
Raven [Ryzen vega 8 mobile]
AMD Raven 52,692 54,400 0.97 25 hrs 47 mins
46 Radeon APU A4-6000 R2
Mullins [Radeon APU A4-6000 R2]
AMD Mullins 6,212 58,422 0.11 226 hrs 43 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Monday, 27 September 2021 17:59:07

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