PROJECT #13446 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 Tuesday, 26 October 2021 06:56:11

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 5,959,929 293,973 20.27 1 hrs 11 mins
2 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,688,056 271,533 17.27 1 hrs 23 mins
3 GeForce RTX 3080 Ti
GA102 [GeForce RTX 3080 Ti]
Nvidia GA102 4,390,796 259,237 16.94 1 hrs 25 mins
4 GeForce RTX 3080
GA102 [GeForce RTX 3080]
Nvidia GA102 4,250,247 263,379 16.14 1 hrs 29 mins
5 GeForce RTX 3080 10GB / 20GB
GA102 [GeForce RTX 3080 10GB / 20GB]
Nvidia GA102 4,209,733 264,025 15.94 2 hrs 30 mins
6 GeForce RTX 3070 Ti
GA104 [GeForce RTX 3070 Ti]
Nvidia GA104 3,729,981 252,529 14.77 2 hrs 37 mins
7 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 3,585,765 250,055 14.34 2 hrs 40 mins
8 Radeon RX 6900 XT
Navi 21 [Radeon RX 6900 XT]
AMD Navi 21 3,213,431 240,424 13.37 2 hrs 48 mins
9 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 2,806,941 230,772 12.16 2 hrs 58 mins
10 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 2,742,448 228,592 12.00 2 hrs 0 mins
11 Quadro RTX 6000/8000
TU102GL [Quadro RTX 6000/8000]
Nvidia TU102GL 2,718,508 228,098 11.92 2 hrs 1 mins
12 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,628,468 225,599 11.65 2 hrs 4 mins
13 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,620,040 222,664 11.77 2 hrs 2 mins
14 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,593,373 225,161 11.52 2 hrs 5 mins
15 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,580,758 224,165 11.51 2 hrs 5 mins
16 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,576,023 224,405 11.48 2 hrs 5 mins
17 GeForce RTX 3070 Mobile / Max-Q
GA104M [GeForce RTX 3070 Mobile / Max-Q]
Nvidia GA104M 2,493,915 222,259 11.22 2 hrs 8 mins
18 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 2,393,821 218,655 10.95 2 hrs 12 mins
19 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 2,357,927 216,272 10.90 2 hrs 12 mins
20 RTX A4000
GA104GL [RTX A4000]
Nvidia GA104GL 2,294,652 217,178 10.57 2 hrs 16 mins
21 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 2,184,516 212,337 10.29 2 hrs 20 mins
22 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,015,642 204,215 9.87 2 hrs 26 mins
23 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 1,749,370 191,574 9.13 3 hrs 38 mins
24 GeForce RTX 3060
GA106 [GeForce RTX 3060]
Nvidia GA106 1,659,086 193,681 8.57 3 hrs 48 mins
25 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,652,428 191,765 8.62 3 hrs 47 mins
26 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,634,976 189,317 8.64 3 hrs 47 mins
27 GeForce RTX 3070 Mobile / Max-Q 8GB/16GB
GA104M [GeForce RTX 3070 Mobile / Max-Q 8GB/16GB]
Nvidia GA104M 1,509,786 187,408 8.06 3 hrs 59 mins
28 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,443,493 181,734 7.94 3 hrs 1 mins
29 Radeon VII
Vega 20 [Radeon VII] 13,284
AMD Vega 20 1,419,894 183,721 7.73 3 hrs 6 mins
30 GeForce RTX 3060 Mobile / Max-Q
GA106M [GeForce RTX 3060 Mobile / Max-Q]
Nvidia GA106M 1,392,747 178,497 7.80 3 hrs 5 mins
31 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,384,888 182,441 7.59 3 hrs 10 mins
32 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,356,467 180,549 7.51 3 hrs 12 mins
33 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 1,344,591 176,199 7.63 3 hrs 9 mins
34 Radeon RX 6700/6700 XT / 6800M
Navi 22 [Radeon RX 6700/6700 XT / 6800M]
AMD Navi 22 1,326,332 171,837 7.72 3 hrs 7 mins
35 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile] 4608
Nvidia TU106M 1,277,369 177,006 7.22 3 hrs 20 mins
36 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,179,484 168,900 6.98 3 hrs 26 mins
37 Radeon RX 5600 OEM/5600 XT/5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]
AMD Navi 10 1,178,487 171,040 6.89 3 hrs 29 mins
38 GeForce GTX 980 Ti
GM200 [GeForce GTX 980 Ti] 5632
Nvidia GM200 1,174,582 170,875 6.87 3 hrs 29 mins
39 GeForce RTX 2060 Mobile / Max-Q
TU106M [GeForce RTX 2060 Mobile / Max-Q] 4550
Nvidia TU106M 1,089,235 159,600 6.82 4 hrs 31 mins
40 Tesla M40
GM200GL [Tesla M40] 6844
Nvidia GM200GL 1,043,416 166,038 6.28 4 hrs 49 mins
41 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 1,032,923 165,131 6.26 4 hrs 50 mins
42 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 985,116 161,562 6.10 4 hrs 56 mins
43 Radeon Vega Frontier Edition
Vega 10 XTX [Radeon Vega Frontier Edition]
AMD Vega 10 XTX 954,487 161,217 5.92 4 hrs 3 mins
44 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 826,241 153,091 5.40 4 hrs 27 mins
45 P104-100
GP104 [P104-100]
Nvidia GP104 763,234 149,649 5.10 5 hrs 42 mins
46 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 746,693 148,502 5.03 5 hrs 46 mins
47 GeForce GTX 1650 SUPER
TU116 [GeForce GTX 1650 SUPER]
Nvidia TU116 666,821 138,079 4.83 5 hrs 58 mins
48 GeForce GTX 1650
TU117 [GeForce GTX 1650] 3091
Nvidia TU117 593,949 137,364 4.32 6 hrs 33 mins
49 P106-100
GP106 [P106-100]
Nvidia GP106 535,486 132,926 4.03 6 hrs 57 mins
50 GeForce GTX 1650 Ti Mobile
TU116M [GeForce GTX 1650 Ti Mobile]
Nvidia TU116M 498,754 129,834 3.84 6 hrs 15 mins
51 Radeon R9 200/300 Series
Hawaii [Radeon R9 200/300 Series]
AMD Hawaii 486,979 122,815 3.97 6 hrs 3 mins
52 GeForce GTX 1650
TU116 [GeForce GTX 1650] 2984
Nvidia TU116 482,802 128,162 3.77 6 hrs 22 mins
53 Quadro T2000 Mobile / Max-Q
TU117GLM [Quadro T2000 Mobile / Max-Q]
Nvidia TU117GLM 480,748 128,459 3.74 6 hrs 25 mins
54 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 428,923 120,199 3.57 7 hrs 44 mins
55 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 412,937 119,549 3.45 7 hrs 57 mins
56 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 412,685 113,993 3.62 7 hrs 38 mins
57 Radeon R9 Fury X
Fiji XT [Radeon R9 Fury X]
AMD Fiji XT 399,188 110,161 3.62 7 hrs 37 mins
58 Radeon Pro Vega 48
Vega 10 Pro [Radeon Pro Vega 48]
AMD Vega 10 Pro 397,233 119,426 3.33 7 hrs 13 mins
59 Radeon R9 200/300X Series
Hawaii [Radeon R9 200/300X Series]
AMD Hawaii 375,815 117,994 3.19 8 hrs 32 mins
60 GeForce GTX 1650 Ti Mobile
TU117M [GeForce GTX 1650 Ti Mobile]
Nvidia TU117M 374,032 116,878 3.20 7 hrs 30 mins
61 P106-090
GP106 [P106-090]
Nvidia GP106 333,137 113,106 2.95 8 hrs 9 mins
62 GeForce GTX 1050 LP
GP107 [GeForce GTX 1050 LP] 1862
Nvidia GP107 256,352 101,714 2.52 10 hrs 31 mins
63 Radeon R9 200/300 Series
Tonga [Radeon R9 200/300 Series]
AMD Tonga 227,510 99,536 2.29 11 hrs 30 mins
64 Radeon RX 5500/5500M / Pro 5500M
Navi 14 [Radeon RX 5500/5500M / Pro 5500M]
AMD Navi 14 210,538 96,615 2.18 11 hrs 1 mins
65 Radeon RX Vega M XL
[Radeon RX Vega M XL]
AMD Vega 175,673 90,335 1.94 12 hrs 20 mins
66 Quadro P1000
GP107GL [Quadro P1000]
Nvidia GP107GL 149,493 86,339 1.73 14 hrs 52 mins
67 Radeon RX 460
Baffin XT [Radeon RX 460]
AMD Baffin XT 109,750 73,079 1.50 16 hrs 59 mins
68 Ryzen 4900HS mobile
Renoir [Ryzen 4900HS mobile]
AMD Renoir 89,313 64,817 1.38 17 hrs 25 mins
69 Radeon RX 550 Series
AMD/ATI [Radeon RX 550 Series]
AMD AMD/ATI 74,915 67,111 1.12 21 hrs 30 mins
70 Radeon R7/R6 360 Series
Bonaire [Radeon R7/R6 360 Series]
AMD Bonaire 65,508 59,521 1.10 22 hrs 48 mins
71 Radeon RX Vega gfx902
raven [Radeon RX Vega gfx902]
AMD raven 60,978 56,259 1.08 22 hrs 9 mins
72 Ryzen vega 8 mobile
Raven [Ryzen vega 8 mobile]
AMD Raven 46,307 54,400 0.85 28 hrs 12 mins
73 Radeon R7
Kaveri [Radeon R7]
AMD Kaveri 42,262 54,400 0.78 31 hrs 54 mins
74 Radeon APU A4-6000 R2
Mullins [Radeon APU A4-6000 R2]
AMD Mullins 5,469 54,400 0.10 239 hrs 44 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Tuesday, 26 October 2021 06:56:11

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