PROJECT #13443 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 Thursday, 15 April 2021 19:28:02

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 804,354 17,301 46.49 1 hrs 31 mins
2 GeForce GTX 960
GM206 [GeForce GTX 960] 2308
Nvidia GM206 672,822 16,248 41.41 1 hrs 35 mins
3 GeForce GTX 980
GM204 [GeForce GTX 980] 4612
Nvidia GM204 503,024 14,449 34.81 1 hrs 41 mins
4 GeForce GTX 780
GK110 [GeForce GTX 780] 3977
Nvidia GK110 429,619 14,129 30.41 1 hrs 47 mins
5 GeForce GTX 970
GM204 [GeForce GTX 970] 3494
Nvidia GM204 424,480 13,869 30.61 1 hrs 47 mins
6 GeForce GTX 660 Ti
GK104 [GeForce GTX 660 Ti] 2634
Nvidia GK104 360,531 13,060 27.61 1 hrs 52 mins
7 GeForce GTX 680
GK104 [GeForce GTX 680] 3250
Nvidia GK104 354,006 13,120 26.98 1 hrs 53 mins
8 Quadro P620
GP107GL [Quadro P620]
Nvidia GP107GL 241,996 11,547 20.96 1 hrs 9 mins
9 GeForce GTX 750 Ti
GM107 [GeForce GTX 750 Ti] 1389
Nvidia GM107 240,210 11,603 20.70 1 hrs 10 mins
10 Quadro K2200
GM107GL [Quadro K2200]
Nvidia GM107GL 227,126 11,281 20.13 1 hrs 12 mins
11 GeForce GT 1030
GP108 [GeForce GT 1030] 1127
Nvidia GP108 206,783 10,753 19.23 1 hrs 15 mins
12 Quadro K1200
GM107GL [Quadro K1200]
Nvidia GM107GL 164,561 10,077 16.33 1 hrs 28 mins
13 GeForce GTX 770
GK104 [GeForce GTX 770] 3213
Nvidia GK104 149,049 9,935 15.00 2 hrs 36 mins
14 Quadro K620
GM107GL [Quadro K620]
Nvidia GM107GL 124,091 9,238 13.43 2 hrs 47 mins
15 GeForce GTX 760
GK104 [GeForce GTX 760] 2258
Nvidia GK104 116,577 9,151 12.74 2 hrs 53 mins
16 GeForce 920M
GK208 [GeForce 920M]
Nvidia GK208 83,126 8,178 10.16 2 hrs 22 mins
17 GeForce GTX 560 Ti
GF114 [GeForce GTX 560 Ti]
Nvidia GF114 82,226 8,121 10.13 2 hrs 22 mins
18 GeForce GTX 460 v2
GF114 [GeForce GTX 460 v2] 1045.6
Nvidia GF114 58,524 7,223 8.10 3 hrs 58 mins
19 GeForce GT 710
GK208B [GeForce GT 710] 366
Nvidia GK208B 34,179 6,091 5.61 4 hrs 17 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Thursday, 15 April 2021 19:28:02

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