PROJECT #13455 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: Public

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Friday, 03 December 2021 04:36:12

Rank
Project
Model Name
Folding@Home Identifier
Make
Brand
GPU
Model
PPD
Average
Points WU
Average
WUs Day
Average
WU Time
Average
1 GeForce GTX 1070 Mobile
GP104M [GeForce GTX 1070 Mobile]
Nvidia GP104M 953,579 18,411 51.79 0 hrs 28 mins
2 GeForce GTX 1060 Mobile
GP106M [GeForce GTX 1060 Mobile]
Nvidia GP106M 790,145 17,376 45.47 1 hrs 32 mins
3 GeForce GTX 960
GM206 [GeForce GTX 960] 2308
Nvidia GM206 748,049 16,816 44.48 1 hrs 32 mins
4 GeForce GTX 970
GM204 [GeForce GTX 970] 3494
Nvidia GM204 497,233 14,516 34.25 1 hrs 42 mins
5 GeForce GTX 1050 Ti Mobile
GP107M [GeForce GTX 1050 Ti Mobile]
Nvidia GP107M 448,348 14,055 31.90 1 hrs 45 mins
6 Quadro P5000
GP104GL [Quadro P5000]
Nvidia GP104GL 388,469 9,610 40.42 1 hrs 36 mins
7 GeForce GTX 1050 Mobile
GP107M [GeForce GTX 1050 Mobile]
Nvidia GP107M 374,898 13,338 28.11 1 hrs 51 mins
8 GeForce GTX 660 Ti
GK104 [GeForce GTX 660 Ti] 2634
Nvidia GK104 355,848 12,845 27.70 1 hrs 52 mins
9 GeForce GTX 950
GM206 [GeForce GTX 950] 1572
Nvidia GM206 326,648 12,763 25.59 1 hrs 56 mins
10 Tesla K20M
GK110 [Tesla K20M] 3524
Nvidia GK110 308,690 12,680 24.34 1 hrs 59 mins
11 GeForce GTX 690
GK104 [GeForce GTX 690] 3130
Nvidia GK104 292,817 11,491 25.48 1 hrs 57 mins
12 Quadro M4000
GM204GL [Quadro M4000]
Nvidia GM204GL 254,504 11,795 21.58 1 hrs 7 mins
13 GeForce GTX 750
GM107 [GeForce GTX 750] 1111
Nvidia GM107 239,177 11,627 20.57 1 hrs 10 mins
14 GTX 650 Ti Boost
GK106 [GTX 650 Ti Boost]
Nvidia GK106 202,126 10,988 18.40 1 hrs 18 mins
15 GeForce GTX 960M
GM107 [GeForce GTX 960M] 1439
Nvidia GM107 197,586 10,689 18.48 1 hrs 18 mins
16 Quadro K2200
GM107GL [Quadro K2200]
Nvidia GM107GL 187,761 10,412 18.03 1 hrs 20 mins
17 GeForce GTX 750 Ti
GM107 [GeForce GTX 750 Ti] 1389
Nvidia GM107 181,750 10,167 17.88 1 hrs 21 mins
18 Quadro K1200
GM107GL [Quadro K1200]
Nvidia GM107GL 169,110 10,088 16.76 1 hrs 26 mins
19 GeForce GT 1030
GP108 [GeForce GT 1030] 1127
Nvidia GP108 165,999 10,081 16.47 1 hrs 27 mins
20 GeForce GTX 660
GK106 [GeForce GTX 660]
Nvidia GK106 141,410 9,539 14.82 2 hrs 37 mins
21 Quadro K4000
GK104 [Quadro K4000]
Nvidia GK104 123,162 9,316 13.22 2 hrs 49 mins
22 Quadro K620
GM107GL [Quadro K620]
Nvidia GM107GL 118,873 9,218 12.90 2 hrs 52 mins
23 Quadro P620
GP107GL [Quadro P620]
Nvidia GP107GL 108,409 8,748 12.39 2 hrs 56 mins
24 GeForce 920M
GK208 [GeForce 920M]
Nvidia GK208 81,318 8,092 10.05 2 hrs 23 mins
25 Iris(R) Xe Graphics
TGL GT2 [Iris(R) Xe Graphics]
Intel TGL GT2 57,269 7,191 7.96 3 hrs 1 mins
26 UHD Graphics 620
KBL GT2 [UHD Graphics 620]
Intel KBL GT2 35,205 6,132 5.74 4 hrs 11 mins
27 Iris(R) Graphics 540
SKL GT3 [Iris(R) Graphics 540]
Intel SKL GT3 27,055 4,754 5.69 4 hrs 13 mins
28 HD Graphics 530
SKL GT2 [HD Graphics 530]
Intel SKL GT2 24,896 5,137 4.85 5 hrs 57 mins
29 UHD Graphics 630
CFL GT2 [UHD Graphics 630]
Intel CFL GT2 22,379 5,163 4.33 6 hrs 32 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Friday, 03 December 2021 04:36:12

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