PROJECT #13435 RESEARCH FOR COVID-19
FOLDING PERFORMANCE PROFILE

PROJECT SUMMARY

https://www.youtube.com/watch?v=VnyaAmM1nhE

These projects are to assist rapid sprints of relative alchemical free energy calculations for prioritizing compound designs from chemists from the COVID Moonshot for synthesis.

This series of projects simulates the SARS-CoV-2 main viral protease.

These projects collectively cover the entire set of X-ray structures collected by the COVID Moonshot, and more RUNs will be added as new structures are collected.

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): Prof. 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 12:33:33

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 7,086,697 620,843 11.41 2 hrs 6 mins
2 GeForce RTX 3080 10GB / 20GB
GA102 [GeForce RTX 3080 10GB / 20GB]
Nvidia GA102 6,037,862 591,569 10.21 2 hrs 21 mins
3 TITAN RTX
TU102 [TITAN RTX] 16310
Nvidia TU102 5,180,611 567,440 9.13 3 hrs 38 mins
4 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,908,403 555,090 8.84 3 hrs 43 mins
5 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 4,025,076 518,908 7.76 3 hrs 6 mins
6 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,574,601 495,996 7.21 3 hrs 20 mins
7 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 3,545,855 488,632 7.26 3 hrs 18 mins
8 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 3,373,151 487,193 6.92 3 hrs 28 mins
9 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 3,211,044 479,275 6.70 4 hrs 35 mins
10 GeForce RTX 2080 SUPER Mobile / Max-Q
TU104M [GeForce RTX 2080 SUPER Mobile / Max-Q]
Nvidia TU104M 3,069,329 476,263 6.44 4 hrs 43 mins
11 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 2,983,923 469,351 6.36 4 hrs 47 mins
12 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,827,199 462,225 6.12 4 hrs 55 mins
13 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,728,552 451,048 6.05 4 hrs 58 mins
14 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,692,777 457,081 5.89 4 hrs 4 mins
15 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,465,812 439,629 5.61 4 hrs 17 mins
16 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,281,193 428,860 5.32 5 hrs 31 mins
17 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 2,242,120 399,759 5.61 4 hrs 17 mins
18 Radeon VII
Vega 20 [Radeon VII] 13,284
AMD Vega 20 1,977,828 404,740 4.89 5 hrs 55 mins
19 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,761,404 388,069 4.54 5 hrs 17 mins
20 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,730,148 389,256 4.44 5 hrs 24 mins
21 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,706,250 385,206 4.43 5 hrs 25 mins
22 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 1,488,625 374,678 3.97 6 hrs 2 mins
23 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,479,998 372,035 3.98 6 hrs 2 mins
24 GeForce GTX Titan X
GM200 [GeForce GTX Titan X] 6144
Nvidia GM200 1,468,203 370,555 3.96 6 hrs 3 mins
25 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,411,039 364,581 3.87 6 hrs 12 mins
26 Radeon RX 5600/5600 XT - 5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT / 5700/5700 XT]
AMD Navi 10 1,367,891 348,086 3.93 6 hrs 6 mins
27 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,323,959 357,974 3.70 6 hrs 29 mins
28 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,294,865 357,324 3.62 7 hrs 37 mins
29 GeForce GTX 980 Ti
GM200 [GeForce GTX 980 Ti] 5632
Nvidia GM200 1,172,732 340,688 3.44 7 hrs 58 mins
30 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 1,121,720 340,130 3.30 7 hrs 17 mins
31 Radeon RX 5600 OEM/5600 XT/5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]
AMD Navi 10 1,062,730 328,463 3.24 7 hrs 25 mins
32 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 1,027,254 329,021 3.12 8 hrs 41 mins
33 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 904,299 311,986 2.90 8 hrs 17 mins
34 GeForce GTX 1070
GP104 [GeForce GTX 1070]
Nvidia GP104 840,285 309,142 2.72 9 hrs 50 mins
35 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 817,545 305,703 2.67 9 hrs 58 mins
36 GeForce GTX 1650 Ti Mobile
TU116M [GeForce GTX 1650 Ti Mobile]
Nvidia TU116M 806,752 304,963 2.65 9 hrs 4 mins
37 P104-100
GP104 [P104-100]
Nvidia GP104 652,887 283,954 2.30 10 hrs 26 mins
38 GeForce GTX 1650
TU116 [GeForce GTX 1650] 2984
Nvidia TU116 456,927 239,944 1.90 13 hrs 36 mins
39 P106-100
GP106 [P106-100]
Nvidia GP106 446,342 250,673 1.78 13 hrs 29 mins
40 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 438,318 239,626 1.83 13 hrs 7 mins
41 Radeon R9 200/300 Series
Hawaii [Radeon R9 200/300 Series]
AMD Hawaii 432,565 237,570 1.82 13 hrs 11 mins
42 P106-090
GP106 [P106-090]
Nvidia GP106 382,815 237,827 1.61 15 hrs 55 mins
43 GeForce GTX 1650 SUPER
TU116 [GeForce GTX 1650 SUPER]
Nvidia TU116 361,048 182,910 1.97 12 hrs 10 mins
44 GeForce GTX 1050 LP
GP107 [GeForce GTX 1050 LP] 1862
Nvidia GP107 344,487 229,736 1.50 16 hrs 0 mins
45 Radeon R9 280/HD 7900/8950
Tahiti PRO [Radeon R9 280/HD 7900/8950]
AMD Tahiti PRO 283,934 215,243 1.32 18 hrs 12 mins
46 Radeon RX 5500/5500M / Pro 5500M
Navi 14 [Radeon RX 5500/5500M / Pro 5500M]
AMD Navi 14 256,674 190,388 1.35 18 hrs 48 mins
47 GeForce GTX 1050 Ti
GP107 [GeForce GTX 1050 Ti] 2138
Nvidia GP107 241,512 195,896 1.23 19 hrs 28 mins
48 Radeon R9 200/300 Series
Tonga [Radeon R9 200/300 Series]
AMD Tonga 178,948 186,071 0.96 25 hrs 57 mins
49 Quadro P1000
GP107GL [Quadro P1000]
Nvidia GP107GL 145,018 172,650 0.84 29 hrs 34 mins
50 Radeon RX Vega M XL
[Radeon RX Vega M XL]
AMD Vega 134,667 125,550 1.07 22 hrs 23 mins
51 Radeon RX Vega gfx902
raven [Radeon RX Vega gfx902]
AMD raven 82,892 143,131 0.58 41 hrs 26 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Wednesday, 28 July 2021 12:33:33

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