PROJECT #13440 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 Wednesday, 28 July 2021 15:34:05

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 3090
GA102 [GeForce RTX 3090]
Nvidia GA102 5,803,204 293,129 19.80 1 hrs 13 mins
2 GeForce RTX 3080 10GB / 20GB
GA102 [GeForce RTX 3080 10GB / 20GB]
Nvidia GA102 5,299,661 283,598 18.69 1 hrs 17 mins
3 TITAN RTX
TU102 [TITAN RTX] 16310
Nvidia TU102 4,122,358 262,636 15.70 2 hrs 32 mins
4 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,045,272 259,892 15.57 2 hrs 33 mins
5 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 3,622,670 251,317 14.41 2 hrs 40 mins
6 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,086,540 236,338 13.06 2 hrs 50 mins
7 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 3,075,194 238,308 12.90 2 hrs 52 mins
8 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 3,072,597 236,022 13.02 2 hrs 51 mins
9 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,631,218 225,599 11.66 2 hrs 3 mins
10 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,593,436 230,264 11.26 2 hrs 8 mins
11 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER]
Nvidia TU104 2,581,121 224,766 11.48 2 hrs 5 mins
12 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,552,043 223,853 11.40 2 hrs 6 mins
13 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,543,633 222,941 11.41 2 hrs 6 mins
14 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 2,469,253 219,206 11.26 2 hrs 8 mins
15 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,339,979 214,901 10.89 2 hrs 12 mins
16 Quadro RTX 6000/8000
TU102GL [Quadro RTX 6000/8000]
Nvidia TU102GL 2,281,296 214,017 10.66 2 hrs 15 mins
17 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 2,250,118 202,518 11.11 2 hrs 10 mins
18 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,068,933 207,888 9.95 2 hrs 25 mins
19 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 1,936,645 200,443 9.66 2 hrs 29 mins
20 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,725,136 195,756 8.81 3 hrs 43 mins
21 GeForce RTX 3060
GA106 [GeForce RTX 3060]
Nvidia GA106 1,640,686 191,677 8.56 3 hrs 48 mins
22 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,626,861 190,280 8.55 3 hrs 48 mins
23 Quadro RTX 4000
TU104GL [Quadro RTX 4000]
Nvidia TU104GL 1,552,603 185,978 8.35 3 hrs 52 mins
24 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,530,368 188,688 8.11 3 hrs 58 mins
25 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,444,404 185,710 7.78 3 hrs 5 mins
26 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,393,621 182,618 7.63 3 hrs 9 mins
27 GeForce GTX Titan X
GM200 [GeForce GTX Titan X] 6144
Nvidia GM200 1,333,352 179,909 7.41 3 hrs 14 mins
28 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 1,208,067 158,792 7.61 3 hrs 9 mins
29 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,163,677 171,352 6.79 4 hrs 32 mins
30 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,152,320 171,281 6.73 4 hrs 34 mins
31 GeForce GTX 980 Ti
GM200 [GeForce GTX 980 Ti] 5632
Nvidia GM200 1,056,861 165,684 6.38 4 hrs 46 mins
32 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 973,254 159,844 6.09 4 hrs 57 mins
33 Tesla M40
GM200GL [Tesla M40] 6844
Nvidia GM200GL 969,280 161,194 6.01 4 hrs 59 mins
34 GeForce GTX 1660 Mobile
TU116M [GeForce GTX 1660 Mobile]
Nvidia TU116M 867,286 153,853 5.64 4 hrs 15 mins
35 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 864,365 155,385 5.56 4 hrs 19 mins
36 Radeon RX 5600 OEM/5600 XT/5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]
AMD Navi 10 802,950 150,882 5.32 5 hrs 31 mins
37 P104-100
GP104 [P104-100]
Nvidia GP104 780,533 150,610 5.18 5 hrs 38 mins
38 GeForce GTX 1070
GP104 [GeForce GTX 1070]
Nvidia GP104 737,745 147,985 4.99 5 hrs 49 mins
39 GeForce GTX 1650 Ti Mobile
TU116M [GeForce GTX 1650 Ti Mobile]
Nvidia TU116M 699,343 144,812 4.83 5 hrs 58 mins
40 GeForce GTX 1650 SUPER
TU116 [GeForce GTX 1650 SUPER]
Nvidia TU116 693,336 143,902 4.82 5 hrs 59 mins
41 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 678,683 142,786 4.75 5 hrs 3 mins
42 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 631,215 140,461 4.49 5 hrs 20 mins
43 GeForce GTX 1650
TU117 [GeForce GTX 1650] 3091
Nvidia TU117 605,209 136,798 4.42 5 hrs 25 mins
44 GeForce GTX 1650
TU116 [GeForce GTX 1650] 2984
Nvidia TU116 566,505 135,520 4.18 6 hrs 44 mins
45 P106-100
GP106 [P106-100]
Nvidia GP106 542,903 133,581 4.06 6 hrs 54 mins
46 Quadro T2000 Mobile / Max-Q
TU117GLM [Quadro T2000 Mobile / Max-Q]
Nvidia TU117GLM 522,689 132,064 3.96 6 hrs 4 mins
47 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 516,822 130,302 3.97 6 hrs 3 mins
48 Radeon RX 5500/5500M / Pro 5500M
Navi 14 [Radeon RX 5500/5500M / Pro 5500M]
AMD Navi 14 444,518 121,727 3.65 7 hrs 34 mins
49 Radeon R9 Fury X
Fiji XT [Radeon R9 Fury X]
AMD Fiji XT 431,597 122,339 3.53 7 hrs 48 mins
50 Radeon R9 200/300 Series
Hawaii [Radeon R9 200/300 Series]
AMD Hawaii 419,724 110,081 3.81 6 hrs 18 mins
51 Radeon R9 200/300X Series
Hawaii [Radeon R9 200/300X Series]
AMD Hawaii 388,918 119,602 3.25 7 hrs 23 mins
52 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 359,465 112,120 3.21 7 hrs 29 mins
53 GeForce GTX 1050 LP
GP107 [GeForce GTX 1050 LP] 1862
Nvidia GP107 341,729 114,630 2.98 8 hrs 3 mins
54 P106-090
GP106 [P106-090]
Nvidia GP106 333,482 113,480 2.94 8 hrs 10 mins
55 Quadro P1000
GP107GL [Quadro P1000]
Nvidia GP107GL 219,153 98,833 2.22 11 hrs 49 mins
56 Radeon R9 200/300 Series
Tonga [Radeon R9 200/300 Series]
AMD Tonga 177,490 91,090 1.95 12 hrs 19 mins
57 Radeon RX Vega M XL
[Radeon RX Vega M XL]
AMD Vega 163,881 83,010 1.97 12 hrs 9 mins
58 Radeon R7 200 Series
Hawaii [Radeon R7 200 Series]
AMD Hawaii 122,814 81,566 1.51 16 hrs 56 mins
59 Radeon HD 7790
Bonaire XT [Radeon HD 7790]
AMD Bonaire XT 93,837 70,323 1.33 18 hrs 59 mins
60 Radeon RX 460
Baffin XT [Radeon RX 460]
AMD Baffin XT 90,088 71,625 1.26 19 hrs 5 mins
61 Radeon R7/R6 360 Series
Bonaire [Radeon R7/R6 360 Series]
AMD Bonaire 64,086 56,871 1.13 21 hrs 18 mins
62 Ryzen vega 8 mobile
Raven [Ryzen vega 8 mobile]
AMD Raven 46,567 54,400 0.86 28 hrs 2 mins
63 Radeon RX Vega gfx902
raven [Radeon RX Vega gfx902]
AMD raven 38,375 54,400 0.71 34 hrs 1 mins
64 FirePro W2100
Oland GL [FirePro W2100]
AMD Oland GL 11,935 54,400 0.22 109 hrs 24 mins
65 Radeon APU A4-6000 R2
Mullins [Radeon APU A4-6000 R2]
AMD Mullins 5,125 54,400 0.09 255 hrs 45 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Wednesday, 28 July 2021 15:34:05

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