PROJECT #13442 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: 89,709

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 RTX 3090
GA102 [GeForce RTX 3090]
Nvidia GA102 5,706,922 288,302 19.79 1 hrs 13 mins
2 GeForce RTX 3080 10GB / 20GB
GA102 [GeForce RTX 3080 10GB / 20GB]
Nvidia GA102 5,017,461 275,429 18.22 1 hrs 19 mins
3 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,457,824 268,388 16.61 1 hrs 27 mins
4 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 3,641,425 250,831 14.52 2 hrs 39 mins
5 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,108,086 237,594 13.08 2 hrs 50 mins
6 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 3,104,826 238,429 13.02 2 hrs 51 mins
7 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 2,956,188 235,306 12.56 2 hrs 55 mins
8 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,700,897 226,403 11.93 2 hrs 1 mins
9 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 2,593,064 223,269 11.61 2 hrs 4 mins
10 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,552,967 222,641 11.47 2 hrs 6 mins
11 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,492,695 221,189 11.27 2 hrs 8 mins
12 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,399,427 218,614 10.98 2 hrs 11 mins
13 Quadro RTX 6000/8000
TU102GL [Quadro RTX 6000/8000]
Nvidia TU102GL 2,346,848 217,260 10.80 2 hrs 13 mins
14 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,187,278 211,353 10.35 2 hrs 19 mins
15 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 1,953,876 198,052 9.87 2 hrs 26 mins
16 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 1,949,511 201,547 9.67 2 hrs 29 mins
17 Radeon VII
Vega 20 [Radeon VII] 13,284
AMD Vega 20 1,867,494 200,359 9.32 3 hrs 34 mins
18 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,677,625 194,341 8.63 3 hrs 47 mins
19 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,638,530 192,062 8.53 3 hrs 49 mins
20 Quadro RTX 4000
TU104GL [Quadro RTX 4000]
Nvidia TU104GL 1,616,772 192,288 8.41 3 hrs 51 mins
21 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,441,353 184,229 7.82 3 hrs 4 mins
22 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,398,093 182,663 7.65 3 hrs 8 mins
23 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,344,067 179,036 7.51 3 hrs 12 mins
24 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 1,289,547 177,611 7.26 3 hrs 18 mins
25 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,284,493 177,475 7.24 3 hrs 19 mins
26 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,144,794 171,177 6.69 4 hrs 35 mins
27 GeForce GTX 980 Ti
GM200 [GeForce GTX 980 Ti] 5632
Nvidia GM200 1,075,553 166,561 6.46 4 hrs 43 mins
28 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 999,339 163,136 6.13 4 hrs 55 mins
29 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 918,328 155,269 5.91 4 hrs 3 mins
30 Radeon RX 5600 OEM/5600 XT/5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]
AMD Navi 10 876,411 154,834 5.66 4 hrs 14 mins
31 P104-100
GP104 [P104-100]
Nvidia GP104 761,381 149,601 5.09 5 hrs 43 mins
32 GeForce GTX 1070
GP104 [GeForce GTX 1070]
Nvidia GP104 744,358 148,132 5.02 5 hrs 47 mins
33 GeForce GTX 1650 Ti Mobile
TU116M [GeForce GTX 1650 Ti Mobile]
Nvidia TU116M 705,229 145,630 4.84 5 hrs 57 mins
34 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 659,893 140,838 4.69 5 hrs 7 mins
35 GeForce GTX 1650 SUPER
TU116 [GeForce GTX 1650 SUPER]
Nvidia TU116 629,995 132,010 4.77 5 hrs 2 mins
36 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 602,771 137,401 4.39 5 hrs 28 mins
37 Radeon R9 Fury X
Fiji XT [Radeon R9 Fury X]
AMD Fiji XT 585,719 134,082 4.37 5 hrs 30 mins
38 GeForce GTX 1650
TU116 [GeForce GTX 1650] 2984
Nvidia TU116 547,403 133,856 4.09 6 hrs 52 mins
39 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 541,312 133,989 4.04 6 hrs 56 mins
40 P106-100
GP106 [P106-100]
Nvidia GP106 535,720 132,978 4.03 6 hrs 57 mins
41 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 486,927 126,726 3.84 6 hrs 15 mins
42 Radeon R9 200/300X Series
Hawaii [Radeon R9 200/300X Series]
AMD Hawaii 446,742 124,934 3.58 7 hrs 43 mins
43 Radeon R9 200/300 Series
Hawaii [Radeon R9 200/300 Series]
AMD Hawaii 399,669 106,529 3.75 6 hrs 24 mins
44 P106-090
GP106 [P106-090]
Nvidia GP106 340,268 114,514 2.97 8 hrs 5 mins
45 GeForce GTX 1050 LP
GP107 [GeForce GTX 1050 LP] 1862
Nvidia GP107 275,591 106,484 2.59 9 hrs 16 mins
46 Quadro P1000
GP107GL [Quadro P1000]
Nvidia GP107GL 214,251 98,039 2.19 11 hrs 59 mins
47 Radeon R9 200/300 Series
Tonga [Radeon R9 200/300 Series]
AMD Tonga 191,398 94,347 2.03 12 hrs 50 mins
48 Radeon RX Vega gfx902
raven [Radeon RX Vega gfx902]
AMD raven 71,106 67,721 1.05 23 hrs 51 mins
49 Radeon R7/R6 360 Series
Bonaire [Radeon R7/R6 360 Series]
AMD Bonaire 59,158 56,227 1.05 23 hrs 49 mins
50 Ryzen vega 8 mobile
Raven [Ryzen vega 8 mobile]
AMD Raven 45,141 54,400 0.83 29 hrs 55 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