PROJECT #13445 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 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 780,484 16,983 45.96 1 hrs 31 mins
2 GeForce GTX 960
GM206 [GeForce GTX 960] 2308
Nvidia GM206 674,529 16,241 41.53 1 hrs 35 mins
3 GeForce GTX 970
GM204 [GeForce GTX 970] 3494
Nvidia GM204 512,000 14,749 34.71 1 hrs 41 mins
4 GeForce GTX 980
GM204 [GeForce GTX 980] 4612
Nvidia GM204 488,502 14,703 33.22 1 hrs 43 mins
5 Quadro M2200
GM206 [Quadro M2200]
Nvidia GM206 470,486 14,404 32.66 1 hrs 44 mins
6 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 349,140 12,931 27.00 1 hrs 53 mins
7 GeForce GTX 660 Ti
GK104 [GeForce GTX 660 Ti] 2634
Nvidia GK104 346,418 12,607 27.48 1 hrs 52 mins
8 Quadro P620
GP107GL [Quadro P620]
Nvidia GP107GL 251,583 11,714 21.48 1 hrs 7 mins
9 GeForce GTX 670/GTX 760Ti OEM
GK104 [GeForce GTX 670/GTX 760Ti OEM] 2634
Nvidia GK104 251,006 11,805 21.26 1 hrs 8 mins
10 GeForce GTX 750 Ti
GM107 [GeForce GTX 750 Ti] 1389
Nvidia GM107 245,568 11,650 21.08 1 hrs 8 mins
11 Quadro K2200
GM107GL [Quadro K2200]
Nvidia GM107GL 228,108 11,332 20.13 1 hrs 12 mins
12 GeForce GT 1030
GP108 [GeForce GT 1030] 1127
Nvidia GP108 218,627 10,910 20.04 1 hrs 12 mins
13 GeForce GTX 960M
GM107 [GeForce GTX 960M] 1439
Nvidia GM107 212,390 11,183 18.99 1 hrs 16 mins
14 GeForce GTX 780
GK110 [GeForce GTX 780] 3977
Nvidia GK110 195,456 10,716 18.24 1 hrs 19 mins
15 GeForce GTX 750
GM107 [GeForce GTX 750] 1111
Nvidia GM107 184,465 10,664 17.30 1 hrs 23 mins
16 Quadro K1200
GM107GL [Quadro K1200]
Nvidia GM107GL 167,642 10,251 16.35 1 hrs 28 mins
17 GeForce GTX 770
GK104 [GeForce GTX 770] 3213
Nvidia GK104 161,280 10,080 16.00 2 hrs 30 mins
18 GeForce 940MX
GM108M [GeForce 940MX]
Nvidia GM108M 125,546 9,394 13.36 2 hrs 48 mins
19 Quadro K620
GM107GL [Quadro K620]
Nvidia GM107GL 124,974 9,244 13.52 2 hrs 47 mins
20 GeForce GTX 760
GK104 [GeForce GTX 760] 2258
Nvidia GK104 113,789 9,087 12.52 2 hrs 55 mins
21 GeForce GT 710
GK208B [GeForce GT 710] 366
Nvidia GK208B 103,819 5,594 18.56 1 hrs 18 mins
22 GeForce 920M
GK208 [GeForce 920M]
Nvidia GK208 78,901 8,036 9.82 2 hrs 27 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