PROJECT #13457 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: 4,082

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 Tesla P4
GP104GL [Tesla P4] 5704
Nvidia GP104GL 901,891 17,397 51.84 0 hrs 28 mins
2 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 722,379 16,722 43.20 1 hrs 33 mins
3 GeForce GTX 980
GM204 [GeForce GTX 980] 4612
Nvidia GM204 706,303 16,305 43.32 1 hrs 33 mins
4 GeForce GTX 1060 Mobile
GP106M [GeForce GTX 1060 Mobile]
Nvidia GP106M 566,402 15,078 37.56 1 hrs 38 mins
5 GeForce GTX 970
GM204 [GeForce GTX 970] 3494
Nvidia GM204 468,044 14,334 32.65 1 hrs 44 mins
6 GeForce GTX 1050 Ti Mobile
GP107M [GeForce GTX 1050 Ti Mobile]
Nvidia GP107M 441,320 13,564 32.54 1 hrs 44 mins
7 GeForce GTX 960
GM206 [GeForce GTX 960] 2308
Nvidia GM206 331,256 12,790 25.90 1 hrs 56 mins
8 GeForce GTX 950
GM206 [GeForce GTX 950] 1572
Nvidia GM206 290,985 12,160 23.93 1 hrs 0 mins
9 Quadro P5000
GP104GL [Quadro P5000]
Nvidia GP104GL 279,615 6,796 41.14 1 hrs 35 mins
10 GeForce GTX 660 Ti
GK104 [GeForce GTX 660 Ti] 2634
Nvidia GK104 267,174 11,548 23.14 1 hrs 2 mins
11 GeForce GTX 960M
GM107 [GeForce GTX 960M] 1439
Nvidia GM107 216,668 10,920 19.84 1 hrs 13 mins
12 GeForce GT 1030
GP108 [GeForce GT 1030] 1127
Nvidia GP108 214,419 10,903 19.67 1 hrs 13 mins
13 Quadro K2200
GM107GL [Quadro K2200]
Nvidia GM107GL 196,663 10,532 18.67 1 hrs 17 mins
14 GeForce GTX 750
GM107 [GeForce GTX 750] 1111
Nvidia GM107 179,070 10,299 17.39 1 hrs 23 mins
15 GeForce GTX 750 Ti
GM107 [GeForce GTX 750 Ti] 1389
Nvidia GM107 158,410 9,374 16.90 1 hrs 25 mins
16 GeForce GTX 690
GK104 [GeForce GTX 690] 3130
Nvidia GK104 151,870 9,899 15.34 2 hrs 34 mins
17 GTX 650 Ti Boost
GK106 [GTX 650 Ti Boost]
Nvidia GK106 144,820 9,367 15.46 2 hrs 33 mins
18 Quadro K1200
GM107GL [Quadro K1200]
Nvidia GM107GL 105,540 8,670 12.17 2 hrs 58 mins
19 GeForce GT 730
GK208B [GeForce GT 730] 692.7
Nvidia GK208B 80,063 8,079 9.91 2 hrs 25 mins
20 GeForce 920M
GK208 [GeForce 920M]
Nvidia GK208 41,850 6,513 6.43 4 hrs 44 mins
21 HD Graphics 530
SKL GT2 [HD Graphics 530]
Intel SKL GT2 36,972 6,191 5.97 4 hrs 1 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