PROJECT #13447 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 19:59:50

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 759,268 16,969 44.74 1 hrs 32 mins
2 GeForce GTX 960
GM206 [GeForce GTX 960] 2308
Nvidia GM206 545,023 15,073 36.16 1 hrs 40 mins
3 GeForce GTX 970
GM204 [GeForce GTX 970] 3494
Nvidia GM204 468,627 14,460 32.41 1 hrs 44 mins
4 Quadro M2200
GM206 [Quadro M2200]
Nvidia GM206 464,887 14,528 32.00 1 hrs 45 mins
5 GeForce GTX 660 Ti
GK104 [GeForce GTX 660 Ti] 2634
Nvidia GK104 349,931 12,811 27.31 1 hrs 53 mins
6 GeForce GTX 1050 Ti Mobile
GP107M [GeForce GTX 1050 Ti Mobile]
Nvidia GP107M 327,786 12,378 26.48 1 hrs 54 mins
7 GeForce GTX 1050 Mobile
GP107M [GeForce GTX 1050 Mobile]
Nvidia GP107M 271,301 12,246 22.15 1 hrs 5 mins
8 Quadro K2200
GM107GL [Quadro K2200]
Nvidia GM107GL 227,299 11,288 20.14 1 hrs 12 mins
9 GeForce GTX 750 Ti
GM107 [GeForce GTX 750 Ti] 1389
Nvidia GM107 195,776 10,326 18.96 1 hrs 16 mins
10 GeForce GT 1030
GP108 [GeForce GT 1030] 1127
Nvidia GP108 190,643 10,507 18.14 1 hrs 19 mins
11 GTX 650 Ti Boost
GK106 [GTX 650 Ti Boost]
GK106 190,290 10,603 17.95 1 hrs 20 mins
12 Quadro K1200
GM107GL [Quadro K1200]
Nvidia GM107GL 153,050 9,857 15.53 2 hrs 33 mins
13 GeForce GTX 770
GK104 [GeForce GTX 770] 3213
Nvidia GK104 118,969 7,825 15.20 2 hrs 35 mins
14 Quadro P620
GP107GL [Quadro P620]
Nvidia GP107GL 110,174 8,985 12.26 2 hrs 57 mins
15 GeForce GTX 760
GK104 [GeForce GTX 760] 2258
Nvidia GK104 104,741 8,163 12.83 2 hrs 52 mins
16 GeForce 920M
GK208 [GeForce 920M]
Nvidia GK208 81,543 8,085 10.09 2 hrs 23 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Thursday, 15 April 2021 19:59:50

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