PROJECT #13449 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 Tuesday, 28 September 2021 06:02:49

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 876,865 17,903 48.98 0 hrs 29 mins
2 GeForce GTX 960
GM206 [GeForce GTX 960] 2308
Nvidia GM206 797,669 17,354 45.96 1 hrs 31 mins
3 GeForce GTX 970
GM204 [GeForce GTX 970] 3494
Nvidia GM204 451,970 14,053 32.16 1 hrs 45 mins
4 GeForce GTX 1050 Ti Mobile
GP107M [GeForce GTX 1050 Ti Mobile]
Nvidia GP107M 385,015 13,020 29.57 1 hrs 49 mins
5 GeForce GTX 660 Ti
GK104 [GeForce GTX 660 Ti] 2634
Nvidia GK104 356,195 12,893 27.63 1 hrs 52 mins
6 GeForce GTX 950
GM206 [GeForce GTX 950] 1572
Nvidia GM206 333,394 12,817 26.01 1 hrs 55 mins
7 Quadro K2200
GM107GL [Quadro K2200]
Nvidia GM107GL 226,764 11,267 20.13 1 hrs 12 mins
8 GeForce GTX 850M
GM107 [GeForce GTX 850M] 1155
Nvidia GM107 221,980 11,330 19.59 1 hrs 13 mins
9 GeForce GT 1030
GP108 [GeForce GT 1030] 1127
Nvidia GP108 203,818 10,738 18.98 1 hrs 16 mins
10 GTX 650 Ti Boost
GK106 [GTX 650 Ti Boost]
Nvidia GK106 193,702 10,813 17.91 1 hrs 20 mins
11 Quadro M1200
GM107GLM [Quadro M1200] 1399
Nvidia GM107GLM 187,891 10,721 17.53 1 hrs 22 mins
12 GeForce GTX 770
GK104 [GeForce GTX 770] 3213
Nvidia GK104 186,903 9,756 19.16 1 hrs 15 mins
13 GeForce GTX 960M
GM107 [GeForce GTX 960M] 1439
Nvidia GM107 166,992 9,763 17.10 1 hrs 24 mins
14 GeForce GTX 750 Ti
GM107 [GeForce GTX 750 Ti] 1389
Nvidia GM107 163,328 9,505 17.18 1 hrs 24 mins
15 Quadro K1200
GM107GL [Quadro K1200]
Nvidia GM107GL 161,246 9,996 16.13 1 hrs 29 mins
16 Quadro K620
GM107GL [Quadro K620]
Nvidia GM107GL 113,784 8,901 12.78 2 hrs 53 mins
17 Quadro P620
GP107GL [Quadro P620]
Nvidia GP107GL 112,470 9,003 12.49 2 hrs 55 mins
18 GeForce 920M
GK208 [GeForce 920M]
Nvidia GK208 80,924 8,111 9.98 2 hrs 24 mins
19 GeForce GTX 470
GF100 [GeForce GTX 470] 1088
Nvidia GF100 41,380 5,987 6.91 3 hrs 28 mins
20 GeForce GTX 670M
GF114 [GeForce GTX 670M]
Nvidia GF114 39,130 6,228 6.28 4 hrs 49 mins
21 Iris(R) Graphics 540
SKL GT3 [Iris(R) Graphics 540]
Intel SKL GT3 34,731 6,100 5.69 4 hrs 13 mins
22 HD Graphics 630
KBL GT2 [HD Graphics 630]
Intel KBL GT2 26,372 5,547 4.75 5 hrs 3 mins
23 GeForce GT 710
GK208B [GeForce GT 710] 366
Nvidia GK208B 24,940 5,466 4.56 5 hrs 16 mins
24 UHD Graphics 630
CFL GT2 [UHD Graphics 630]
Intel CFL GT2 16,584 4,679 3.54 7 hrs 46 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Tuesday, 28 September 2021 06:02:49

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