PROJECT #13463 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 Monday, 16 May 2022 12:52:37

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 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 1,302,126 20,374 63.91 0 hrs 23 mins
2 Quadro P2200
GP106GL [Quadro P2200]
Nvidia GP106GL 1,195,597 19,813 60.34 0 hrs 24 mins
3 GeForce GTX 960
GM206 [GeForce GTX 960] 2308
Nvidia GM206 448,948 14,549 30.86 1 hrs 47 mins
4 GeForce GTX 1050 Ti
GP107 [GeForce GTX 1050 Ti] 2138
Nvidia GP107 346,829 13,010 26.66 1 hrs 54 mins
5 GeForce GTX 970
GM204 [GeForce GTX 970] 3494
Nvidia GM204 337,364 13,012 25.93 1 hrs 56 mins
6 Radeon VII
Vega 20 [Radeon VII] 13,284
AMD Vega 20 329,358 12,856 25.62 1 hrs 56 mins
7 GeForce GTX 950
GM206 [GeForce GTX 950] 1572
Nvidia GM206 287,902 12,273 23.46 1 hrs 1 mins
8 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 254,565 11,860 21.46 1 hrs 7 mins
9 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 227,106 11,164 20.34 1 hrs 11 mins
10 GeForce GTX 980
GM204 [GeForce GTX 980] 4612
Nvidia GM204 193,335 10,777 17.94 1 hrs 20 mins
11 P106-100
GP106 [P106-100]
Nvidia GP106 167,217 10,258 16.30 1 hrs 28 mins
12 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 156,503 10,050 15.57 2 hrs 32 mins
13 GeForce GTX 770
GK104 [GeForce GTX 770] 3213
Nvidia GK104 125,702 9,360 13.43 2 hrs 47 mins
14 GeForce GTX 760
GK104 [GeForce GTX 760] 2258
Nvidia GK104 125,234 9,361 13.38 2 hrs 48 mins
15 Radeon R9 Fury X
Fiji XT [Radeon R9 Fury X]
AMD Fiji XT 121,716 8,819 13.80 2 hrs 44 mins
16 GeForce GTX 750
GM107 [GeForce GTX 750] 1111
Nvidia GM107 120,946 9,257 13.07 2 hrs 50 mins
17 GeForce GTX 680
GK104 [GeForce GTX 680] 3250
Nvidia GK104 108,585 8,948 12.14 2 hrs 59 mins
18 GeForce GTX 660 Ti
GK104 [GeForce GTX 660 Ti] 2634
Nvidia GK104 99,011 8,617 11.49 2 hrs 5 mins
19 Quadro K1200
GM107GL [Quadro K1200]
Nvidia GM107GL 97,765 8,410 11.62 2 hrs 4 mins
20 GeForce 920M
GK208 [GeForce 920M]
Nvidia GK208 86,621 8,279 10.46 2 hrs 18 mins
21 GeForce GTX 750 Ti
GM107 [GeForce GTX 750 Ti] 1389
Nvidia GM107 82,023 8,156 10.06 2 hrs 23 mins
22 GeForce GTX 660
GK106 [GeForce GTX 660]
Nvidia GK106 71,262 7,782 9.16 3 hrs 37 mins
23 Quadro P620
GP107GL [Quadro P620]
Nvidia GP107GL 58,836 7,154 8.22 3 hrs 55 mins
24 Polaris11
Baffin [Polaris11]
AMD Baffin 53,322 6,786 7.86 3 hrs 3 mins
25 Radeon R7 250X/HD 7700/8760
R575A [Radeon R7 250X/HD 7700/8760]
AMD R575A 42,874 6,591 6.50 4 hrs 41 mins
26 GeForce GT 710
GK208B [GeForce GT 710] 366
Nvidia GK208B 31,672 5,934 5.34 4 hrs 30 mins
27 GeForce GT 720
GK208 [GeForce GT 720]
Nvidia GK208 30,270 5,726 5.29 5 hrs 32 mins
28 GeForce GT 730
GK208B [GeForce GT 730] 692.7
Nvidia GK208B 20,822 5,151 4.04 6 hrs 56 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Monday, 16 May 2022 12:52:37

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