PROJECT #13438 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 Saturday, 17 April 2021 20:13:25

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 5,794,255 291,741 19.86 1 hrs 13 mins
2 GeForce RTX 3080 10GB / 20GB
GA102 [GeForce RTX 3080 10GB / 20GB]
Nvidia GA102 5,140,033 276,510 18.59 1 hrs 17 mins
3 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,413,573 267,888 16.48 1 hrs 27 mins
4 TITAN RTX
TU102 [TITAN RTX] 16310
Nvidia TU102 4,025,241 260,575 15.45 2 hrs 33 mins
5 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 3,662,832 252,305 14.52 2 hrs 39 mins
6 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 3,204,571 240,756 13.31 2 hrs 48 mins
7 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 3,009,019 234,482 12.83 2 hrs 52 mins
8 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 2,907,240 229,463 12.67 2 hrs 54 mins
9 GeForce RTX 2080 SUPER Mobile / Max-Q
TU104M [GeForce RTX 2080 SUPER Mobile / Max-Q]
Nvidia TU104M 2,724,736 227,013 12.00 2 hrs 60 mins
10 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,720,465 227,942 11.93 2 hrs 1 mins
11 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,706,293 227,729 11.88 2 hrs 1 mins
12 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 2,583,646 223,992 11.53 2 hrs 5 mins
13 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER]
Nvidia TU104 2,503,652 222,106 11.27 2 hrs 8 mins
14 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,435,143 219,561 11.09 2 hrs 10 mins
15 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,360,501 215,431 10.96 2 hrs 11 mins
16 Quadro RTX 6000/8000
TU102GL [Quadro RTX 6000/8000]
Nvidia TU102GL 2,342,357 208,504 11.23 2 hrs 8 mins
17 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,258,084 213,530 10.58 2 hrs 16 mins
18 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 2,247,181 202,439 11.10 2 hrs 10 mins
19 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 2,141,496 208,555 10.27 2 hrs 20 mins
20 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,080,926 208,238 9.99 2 hrs 24 mins
21 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,715,248 195,386 8.78 3 hrs 44 mins
22 Quadro RTX 4000
TU104GL [Quadro RTX 4000]
Nvidia TU104GL 1,669,005 193,446 8.63 3 hrs 47 mins
23 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,524,051 188,245 8.10 3 hrs 58 mins
24 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,502,515 188,171 7.98 3 hrs 0 mins
25 Radeon VII
Vega 20 [Radeon VII] 13,284
AMD Vega 20 1,444,045 178,869 8.07 3 hrs 58 mins
26 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,408,402 183,507 7.67 3 hrs 8 mins
27 GeForce RTX 2060 Mobile / Max-Q
TU106M [GeForce RTX 2060 Mobile / Max-Q] 4550
Nvidia TU106M 1,317,236 176,714 7.45 3 hrs 13 mins
28 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,294,549 164,953 7.85 3 hrs 3 mins
29 Radeon RX 5600/5600 XT - 5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT / 5700/5700 XT]
AMD Navi 10 1,239,118 176,391 7.02 3 hrs 25 mins
30 GeForce GTX Titan X
GM200 [GeForce GTX Titan X] 6144
Nvidia GM200 1,237,837 173,816 7.12 3 hrs 22 mins
31 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,108,911 167,831 6.61 4 hrs 38 mins
32 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 1,108,819 166,993 6.64 4 hrs 37 mins
33 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,103,376 167,320 6.59 4 hrs 38 mins
34 GeForce GTX 980 Ti
GM200 [GeForce GTX 980 Ti] 5632
Nvidia GM200 1,069,470 166,496 6.42 4 hrs 44 mins
35 Tesla M40
GM200GL [Tesla M40] 6844
Nvidia GM200GL 1,051,257 163,137 6.44 4 hrs 43 mins
36 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 951,474 159,522 5.96 4 hrs 1 mins
37 Radeon RX 5600 OEM/5600 XT/5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]
AMD Navi 10 898,099 156,151 5.75 4 hrs 10 mins
38 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 863,520 154,746 5.58 4 hrs 18 mins
39 P104-100
GP104 [P104-100]
Nvidia GP104 773,669 149,966 5.16 5 hrs 39 mins
40 GeForce GTX 1070
GP104 [GeForce GTX 1070]
Nvidia GP104 749,279 148,417 5.05 5 hrs 45 mins
41 GeForce GTX 1650 Ti Mobile
TU116M [GeForce GTX 1650 Ti Mobile]
Nvidia TU116M 697,388 145,132 4.81 5 hrs 60 mins
42 GeForce GTX 1650 SUPER
TU116 [GeForce GTX 1650 SUPER]
Nvidia TU116 694,476 139,768 4.97 5 hrs 50 mins
43 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 677,136 143,586 4.72 5 hrs 5 mins
44 GeForce GTX 1650
TU116 [GeForce GTX 1650] 2984
Nvidia TU116 552,174 132,941 4.15 6 hrs 47 mins
45 P106-100
GP106 [P106-100]
Nvidia GP106 547,547 133,907 4.09 6 hrs 52 mins
46 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 547,323 134,237 4.08 6 hrs 53 mins
47 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 543,722 133,461 4.07 6 hrs 53 mins
48 Quadro T2000 Mobile / Max-Q
TU117GLM [Quadro T2000 Mobile / Max-Q]
Nvidia TU117GLM 519,298 132,004 3.93 6 hrs 6 mins
49 Radeon R9 200/300 Series
Hawaii [Radeon R9 200/300 Series]
AMD Hawaii 441,677 119,996 3.68 7 hrs 31 mins
50 Radeon R9 200/300X Series
Hawaii [Radeon R9 200/300X Series]
AMD Hawaii 416,295 122,171 3.41 7 hrs 3 mins
51 Radeon R9 Fury X
Fiji XT [Radeon R9 Fury X]
AMD Fiji XT 396,804 116,305 3.41 7 hrs 2 mins
52 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 373,253 114,635 3.26 7 hrs 22 mins
53 P106-090
GP106 [P106-090]
Nvidia GP106 348,073 115,068 3.02 8 hrs 56 mins
54 Radeon RX 5500/5500M / Pro 5500M
Navi 14 [Radeon RX 5500/5500M / Pro 5500M]
AMD Navi 14 339,880 99,367 3.42 7 hrs 1 mins
55 GeForce GTX 1050 LP
GP107 [GeForce GTX 1050 LP] 1862
Nvidia GP107 318,918 112,230 2.84 8 hrs 27 mins
56 Quadro P1000
GP107GL [Quadro P1000]
Nvidia GP107GL 207,246 96,950 2.14 11 hrs 14 mins
57 Radeon R9 200/300 Series
Tonga [Radeon R9 200/300 Series]
AMD Tonga 158,400 87,593 1.81 13 hrs 16 mins
58 Radeon RX Vega M XL
[Radeon RX Vega M XL]
AMD Vega 149,836 78,562 1.91 13 hrs 35 mins
59 Radeon RX 460
Baffin XT [Radeon RX 460]
AMD Baffin XT 115,074 77,889 1.48 16 hrs 15 mins
60 Radeon HD 7790
Bonaire XT [Radeon HD 7790]
AMD Bonaire XT 93,639 66,356 1.41 17 hrs 0 mins
61 Radeon R7/R6 360 Series
Bonaire [Radeon R7/R6 360 Series]
AMD Bonaire 63,305 59,118 1.07 22 hrs 25 mins
62 Radeon RX Vega gfx902
raven [Radeon RX Vega gfx902]
AMD raven 58,611 62,362 0.94 26 hrs 32 mins
63 Ryzen vega 8 mobile
Raven [Ryzen vega 8 mobile]
AMD Raven 45,266 54,400 0.83 29 hrs 51 mins
64 Ryzen 4900HS mobile
Renoir [Ryzen 4900HS mobile]
AMD Renoir 30,701 54,400 0.56 43 hrs 32 mins
65 Radeon APU A4-6000 R2
Mullins [Radeon APU A4-6000 R2]
AMD Mullins 5,420 54,400 0.10 241 hrs 53 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Saturday, 17 April 2021 20:13:25

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