PROJECT #13461 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: 4,082

Core: OPENMM_22

Status: Public

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Saturday, 15 January 2022 23:40:55

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 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,877,714 26,645 108.00 0 hrs 13 mins
2 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 2,052,253 23,753 86.40 0 hrs 17 mins
3 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 2,022,523 23,409 86.40 0 hrs 17 mins
4 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,970,929 22,644 87.04 0 hrs 17 mins
5 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 1,726,436 21,980 78.55 0 hrs 18 mins
6 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 1,050,503 18,846 55.74 0 hrs 26 mins
7 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 860,834 17,934 48.00 0 hrs 30 mins
8 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 827,726 17,244 48.00 0 hrs 30 mins
9 GeForce GTX 960
GM206 [GeForce GTX 960] 2308
Nvidia GM206 513,327 15,044 34.12 1 hrs 42 mins
10 GeForce GTX 970
GM204 [GeForce GTX 970] 3494
Nvidia GM204 406,717 13,788 29.50 1 hrs 49 mins
11 GeForce GTX 980
GM204 [GeForce GTX 980] 4612
Nvidia GM204 387,394 13,424 28.86 1 hrs 50 mins
12 GeForce GTX 950
GM206 [GeForce GTX 950] 1572
Nvidia GM206 306,954 12,515 24.53 1 hrs 59 mins
13 GeForce GTX 750 Ti
GM107 [GeForce GTX 750 Ti] 1389
Nvidia GM107 216,070 11,186 19.32 1 hrs 15 mins
14 GeForce GTX 770
GK104 [GeForce GTX 770] 3213
Nvidia GK104 137,864 9,648 14.29 2 hrs 41 mins
15 GeForce GTX 680
GK104 [GeForce GTX 680] 3250
Nvidia GK104 125,343 9,355 13.40 2 hrs 47 mins
16 GeForce GTX 660 Ti
GK104 [GeForce GTX 660 Ti] 2634
Nvidia GK104 123,941 9,336 13.28 2 hrs 48 mins
17 GeForce 940MX
GM107 [GeForce 940MX]
Nvidia GM107 109,577 8,856 12.37 2 hrs 56 mins
18 GeForce GTX 1050 Mobile
GP107M [GeForce GTX 1050 Mobile]
Nvidia GP107M 106,347 8,862 12.00 2 hrs 60 mins
19 GeForce GTX 760
GK104 [GeForce GTX 760] 2258
Nvidia GK104 99,209 7,566 13.11 2 hrs 50 mins
20 GeForce GTX 660
GK106 [GeForce GTX 660]
Nvidia GK106 94,335 8,502 11.10 2 hrs 10 mins
21 GeForce 920M
GK208 [GeForce 920M]
Nvidia GK208 80,290 7,975 10.07 2 hrs 23 mins
22 GeForce GT 730
GK208B [GeForce GT 730] 692.7
Nvidia GK208B 68,983 7,633 9.04 3 hrs 39 mins
23 GeForce GTX 860M
GM107 [GeForce GTX 860M] 1389
Nvidia GM107 67,805 5,610 12.09 2 hrs 59 mins
24 GeForce MX130
GM108M [GeForce MX130]
Nvidia GM108M 50,430 6,291 8.02 3 hrs 60 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Saturday, 15 January 2022 23:40:55

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