PROJECT #13459 RESEARCH FOR COVID-19
FOLDING PERFORMANCE PROFILE

PROJECT SUMMARY

https://www.youtube.com/watch?v=VnyaAmM1nhE These 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 Thursday, 30 June 2022 00:50:05

Rank
Project
Model Name
Folding@Home Identifier
Make
Brand
GPU
Model
PPD
Average
Points WU
Average
WUs Day
Average
WU Time
Average
1 GeForce RTX 3060 Mobile / Max-Q
GA106M [GeForce RTX 3060 Mobile / Max-Q]
Nvidia GA106M 2,515,477 24,714 101.78 0 hrs 14 mins
2 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,399,499 24,995 96.00 0 hrs 15 mins
3 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 2,191,358 23,593 92.88 0 hrs 16 mins
4 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 1,815,847 22,183 81.86 0 hrs 18 mins
5 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 1,770,834 22,101 80.12 0 hrs 18 mins
6 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,069,472 18,579 57.56 0 hrs 25 mins
7 GeForce GTX 1050 Ti Mobile
GP107M [GeForce GTX 1050 Ti Mobile]
Nvidia GP107M 496,383 14,363 34.56 1 hrs 42 mins
8 Tesla K20C
GK110 [Tesla K20C] 3524
Nvidia GK110 364,503 13,058 27.91 1 hrs 52 mins
9 GeForce GTX 970
GM204 [GeForce GTX 970] 3494
Nvidia GM204 342,097 12,153 28.15 1 hrs 51 mins
10 GeForce GTX 980
GM204 [GeForce GTX 980] 4612
Nvidia GM204 332,143 12,850 25.85 1 hrs 56 mins
11 GeForce GTX 950
GM206 [GeForce GTX 950] 1572
Nvidia GM206 301,053 12,421 24.24 1 hrs 59 mins
12 GeForce GTX 750
GM107 [GeForce GTX 750] 1111
Nvidia GM107 268,360 12,113 22.15 1 hrs 5 mins
13 GeForce GTX 750 Ti
GM107 [GeForce GTX 750 Ti] 1389
Nvidia GM107 181,176 10,530 17.21 1 hrs 24 mins
14 GeForce GTX 770
GK104 [GeForce GTX 770] 3213
Nvidia GK104 142,512 9,687 14.71 2 hrs 38 mins
15 GeForce GTX 760
GK104 [GeForce GTX 760] 2258
Nvidia GK104 139,888 9,505 14.72 2 hrs 38 mins
16 GeForce GTX 660 Ti
GK104 [GeForce GTX 660 Ti] 2634
Nvidia GK104 125,951 9,343 13.48 2 hrs 47 mins
17 Quadro K1200
GM107GL [Quadro K1200]
Nvidia GM107GL 97,033 8,400 11.55 2 hrs 5 mins
18 GeForce GTX 660
GK106 [GeForce GTX 660]
Nvidia GK106 86,704 8,272 10.48 2 hrs 17 mins
19 GeForce 920M
GK208 [GeForce 920M]
Nvidia GK208 86,591 8,288 10.45 2 hrs 18 mins
20 GeForce GT 730
GK208B [GeForce GT 730] 692.7
Nvidia GK208B 65,607 7,489 8.76 3 hrs 44 mins
21 GeForce GT 710
GK208B [GeForce GT 710] 366
Nvidia GK208B 31,782 5,945 5.35 4 hrs 29 mins
22 GeForce GT 640
GK107 [GeForce GT 640] 693
Nvidia GK107 26,170 5,569 4.70 5 hrs 6 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Thursday, 30 June 2022 00:50:05

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