PROJECT #13439 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, 30 July 2021 00:39:51

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 835,719 17,563 47.58 1 hrs 30 mins
2 GeForce GTX 960
GM206 [GeForce GTX 960] 2308
Nvidia GM206 549,335 15,091 36.40 1 hrs 40 mins
3 GeForce GTX 980
GM204 [GeForce GTX 980] 4612
Nvidia GM204 496,115 14,788 33.55 1 hrs 43 mins
4 GeForce GTX 970
GM204 [GeForce GTX 970] 3494
Nvidia GM204 490,679 14,618 33.57 1 hrs 43 mins
5 Quadro M2200
GM206 [Quadro M2200]
Nvidia GM206 476,389 14,336 33.23 1 hrs 43 mins
6 GeForce GTX 780
GK110 [GeForce GTX 780] 3977
Nvidia GK110 426,762 14,097 30.27 1 hrs 48 mins
7 GeForce GTX 660 Ti
GK104 [GeForce GTX 660 Ti] 2634
Nvidia GK104 353,571 12,842 27.53 1 hrs 52 mins
8 GeForce GTX 680
GK104 [GeForce GTX 680] 3250
Nvidia GK104 350,833 13,009 26.97 1 hrs 53 mins
9 GeForce GTX 1050 Mobile
GP107M [GeForce GTX 1050 Mobile]
Nvidia GP107M 319,563 12,724 25.11 1 hrs 57 mins
10 GeForce GTX 750 Ti
GM107 [GeForce GTX 750 Ti] 1389
Nvidia GM107 255,311 11,779 21.68 1 hrs 6 mins
11 Quadro P620
GP107GL [Quadro P620]
Nvidia GP107GL 242,171 11,487 21.08 1 hrs 8 mins
12 GeForce GTX 960M
GM107 [GeForce GTX 960M] 1439
Nvidia GM107 216,129 11,254 19.20 1 hrs 15 mins
13 GeForce GT 1030
GP108 [GeForce GT 1030] 1127
Nvidia GP108 212,943 10,802 19.71 1 hrs 13 mins
14 Quadro K2200
GM107GL [Quadro K2200]
Nvidia GM107GL 199,037 10,734 18.54 1 hrs 18 mins
15 Quadro K4200
GK104 [Quadro K4200]
Nvidia GK104 198,958 10,941 18.18 1 hrs 19 mins
16 GRID M40
GM107GL [GRID M40]
Nvidia GM107GL 187,300 10,707 17.49 1 hrs 22 mins
17 GeForce GTX 750
GM107 [GeForce GTX 750] 1111
Nvidia GM107 169,583 10,339 16.40 1 hrs 28 mins
18 Quadro K1200
GM107GL [Quadro K1200]
Nvidia GM107GL 165,292 10,117 16.34 1 hrs 28 mins
19 GeForce MX250
GP108M [GeForce MX250]
Nvidia GP108M 143,636 7,799 18.42 1 hrs 18 mins
20 GeForce GTX 770
GK104 [GeForce GTX 770] 3213
Nvidia GK104 139,881 9,590 14.59 2 hrs 39 mins
21 GeForce GTX 760
GK104 [GeForce GTX 760] 2258
Nvidia GK104 125,351 9,247 13.56 2 hrs 46 mins
22 Quadro K620
GM107GL [Quadro K620]
Nvidia GM107GL 122,057 9,175 13.30 2 hrs 48 mins
23 GeForce 920M
GK208 [GeForce 920M]
Nvidia GK208 79,776 8,055 9.90 2 hrs 25 mins
24 GeForce GTX 560 Ti
GF114 [GeForce GTX 560 Ti]
Nvidia GF114 78,268 7,873 9.94 2 hrs 25 mins
25 Quadro K2000
GK107 [Quadro K2000]
Nvidia GK107 63,988 7,505 8.53 3 hrs 49 mins
26 GeForce GT 640
GK107 [GeForce GT 640] 693
Nvidia GK107 61,694 7,414 8.32 3 hrs 53 mins
27 GeForce GTX 460 v2
GF114 [GeForce GTX 460 v2] 1045.6
Nvidia GF114 54,527 6,645 8.21 3 hrs 55 mins
28 GeForce GTX 550 Ti
GF116 [GeForce GTX 550 Ti] 691
Nvidia GF116 46,394 6,708 6.92 3 hrs 28 mins
29 UHD Graphics 630
CFL GT2 [UHD Graphics 630]
Intel CFL GT2 40,505 6,377 6.35 4 hrs 47 mins
30 GeForce GTS 450
GF106 [GeForce GTS 450]
Nvidia GF106 35,444 6,053 5.86 4 hrs 6 mins
31 GeForce GT 710
GK208B [GeForce GT 710] 366
Nvidia GK208B 21,928 4,898 4.48 5 hrs 22 mins
32 HD Graphics 630
KBL GT2 [HD Graphics 630]
Intel KBL GT2 11,676 2,823 4.14 6 hrs 48 mins
33 GeForce GT 630M
GF108 [GeForce GT 630M]
Nvidia GF108 7,392 3,657 2.02 12 hrs 52 mins
34 UHD Graphics 605
GLK 3 [UHD Graphics 605]
Intel GLK 3 1,964 2,100 0.94 26 hrs 40 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Friday, 30 July 2021 00:39:51

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