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 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 844,805 17,561 48.11 0 hrs 30 mins
2 GeForce GTX 960
GM206 [GeForce GTX 960] 2308
Nvidia GM206 787,781 17,267 45.62 1 hrs 32 mins
3 Quadro M2200
GM206 [Quadro M2200]
Nvidia GM206 464,887 14,528 32.00 1 hrs 45 mins
4 GeForce GTX 970
GM204 [GeForce GTX 970] 3494
Nvidia GM204 428,086 13,824 30.97 1 hrs 47 mins
5 GeForce GTX 1050 Mobile
GP107M [GeForce GTX 1050 Mobile]
Nvidia GP107M 383,943 13,501 28.44 1 hrs 51 mins
6 GeForce GTX 1060 Mobile
GP106M [GeForce GTX 1060 Mobile]
Nvidia GP106M 373,479 11,665 32.02 1 hrs 45 mins
7 GeForce GTX 1050 Ti Mobile
GP107M [GeForce GTX 1050 Ti Mobile]
Nvidia GP107M 350,526 12,882 27.21 1 hrs 53 mins
8 GeForce GTX 660 Ti
GK104 [GeForce GTX 660 Ti] 2634
Nvidia GK104 342,331 12,597 27.18 1 hrs 53 mins
9 GeForce GTX 950
GM206 [GeForce GTX 950] 1572
Nvidia GM206 326,505 12,673 25.76 1 hrs 56 mins
10 GeForce GTX 770
GK104 [GeForce GTX 770] 3213
Nvidia GK104 242,075 11,081 21.85 1 hrs 6 mins
11 GeForce GTX 850M
GM107 [GeForce GTX 850M] 1155
Nvidia GM107 225,353 11,387 19.79 1 hrs 13 mins
12 Quadro K2200
GM107GL [Quadro K2200]
Nvidia GM107GL 223,823 11,177 20.03 1 hrs 12 mins
13 GeForce GT 1030
GP108 [GeForce GT 1030] 1127
Nvidia GP108 190,320 10,502 18.12 1 hrs 19 mins
14 GTX 650 Ti Boost
GK106 [GTX 650 Ti Boost]
Nvidia GK106 181,544 10,538 17.23 1 hrs 24 mins
15 GeForce GTX 960M
GM107 [GeForce GTX 960M] 1439
Nvidia GM107 180,124 10,336 17.43 1 hrs 23 mins
16 GeForce GTX 750
GM107 [GeForce GTX 750] 1111
Nvidia GM107 179,043 9,497 18.85 1 hrs 16 mins
17 GeForce GTX 750 Ti
GM107 [GeForce GTX 750 Ti] 1389
Nvidia GM107 177,883 9,919 17.93 1 hrs 20 mins
18 GeForce GTX 660
GK106 [GeForce GTX 660]
Nvidia GK106 170,321 10,056 16.94 1 hrs 25 mins
19 Quadro K1200
GM107GL [Quadro K1200]
Nvidia GM107GL 158,112 9,940 15.91 2 hrs 31 mins
20 Quadro K620
GM107GL [Quadro K620]
Nvidia GM107GL 113,167 8,904 12.71 2 hrs 53 mins
21 Quadro P620
GP107GL [Quadro P620]
Nvidia GP107GL 110,176 8,947 12.31 2 hrs 57 mins
22 GeForce GTX 760
GK104 [GeForce GTX 760] 2258
Nvidia GK104 103,207 8,387 12.31 2 hrs 57 mins
23 GeForce GTX 690
GK104 [GeForce GTX 690] 3130
Nvidia GK104 93,413 3,892 24.00 1 hrs 60 mins
24 GeForce 920M
GK208 [GeForce 920M]
Nvidia GK208 81,543 8,085 10.09 2 hrs 23 mins
25 GeForce GTX 470
GF100 [GeForce GTX 470] 1088
Nvidia GF100 47,659 6,790 7.02 3 hrs 25 mins
26 GeForce GTX 670M
GF114 [GeForce GTX 670M]
Nvidia GF114 38,223 6,180 6.18 4 hrs 53 mins
27 Iris(R) Graphics 540
SKL GT3 [Iris(R) Graphics 540]
Intel SKL GT3 34,496 6,082 5.67 4 hrs 14 mins
28 UHD Graphics 620
KBL GT2 [UHD Graphics 620]
Intel KBL GT2 34,366 6,083 5.65 4 hrs 15 mins
29 GeForce GT 710
GK208B [GeForce GT 710] 366
Nvidia GK208B 25,977 5,517 4.71 5 hrs 6 mins
30 HD Graphics 630
KBL GT2 [HD Graphics 630]
Intel KBL GT2 25,322 5,485 4.62 5 hrs 12 mins
31 GeForce GTX 550 Ti
GF116 [GeForce GTX 550 Ti] 691
Nvidia GF116 23,644 4,945 4.78 5 hrs 1 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