PROJECT #13430 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 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 5,176,848 343,470 15.07 2 hrs 36 mins
2 TITAN RTX
TU102 [TITAN RTX] 16310
Nvidia TU102 4,346,855 329,511 13.19 2 hrs 49 mins
3 GeForce RTX 3080 10GB / 20GB
GA102 [GeForce RTX 3080 10GB / 20GB]
Nvidia GA102 4,181,846 320,116 13.06 2 hrs 50 mins
4 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 3,873,581 316,413 12.24 2 hrs 58 mins
5 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 2,979,004 292,470 10.19 2 hrs 21 mins
6 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 2,872,326 282,526 10.17 2 hrs 22 mins
7 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 2,805,804 293,232 9.57 3 hrs 30 mins
8 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 2,779,910 283,565 9.80 2 hrs 27 mins
9 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 2,516,808 272,902 9.22 3 hrs 36 mins
10 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,477,286 273,564 9.06 3 hrs 39 mins
11 GeForce RTX 2080 SUPER Mobile / Max-Q
TU104M [GeForce RTX 2080 SUPER Mobile / Max-Q]
Nvidia TU104M 2,445,317 271,457 9.01 3 hrs 40 mins
12 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,221,309 263,307 8.44 3 hrs 51 mins
13 Quadro RTX 6000/8000
TU102GL [Quadro RTX 6000/8000]
Nvidia TU102GL 2,174,975 258,148 8.43 3 hrs 51 mins
14 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,122,955 257,224 8.25 3 hrs 54 mins
15 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,111,212 256,765 8.22 3 hrs 55 mins
16 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 1,868,223 252,629 7.40 3 hrs 15 mins
17 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 1,804,390 245,037 7.36 3 hrs 16 mins
18 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 1,801,322 244,381 7.37 3 hrs 15 mins
19 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 1,573,554 205,297 7.66 3 hrs 8 mins
20 Radeon VII
Vega 20 [Radeon VII] 13,284
AMD Vega 20 1,531,982 220,551 6.95 3 hrs 27 mins
21 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,404,804 230,787 6.09 4 hrs 57 mins
22 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,393,680 229,905 6.06 4 hrs 58 mins
23 Quadro RTX 4000
TU104GL [Quadro RTX 4000]
Nvidia TU104GL 1,376,376 224,116 6.14 4 hrs 54 mins
24 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,313,805 224,030 5.86 4 hrs 6 mins
25 Radeon RX 5600/5600 XT - 5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT / 5700/5700 XT]
AMD Navi 10 1,309,170 237,164 5.52 4 hrs 21 mins
26 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,249,965 223,783 5.59 4 hrs 18 mins
27 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,202,949 213,470 5.64 4 hrs 16 mins
28 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,185,599 213,825 5.54 4 hrs 20 mins
29 GeForce GTX Titan X
GM200 [GeForce GTX Titan X] 6144
Nvidia GM200 1,086,995 207,290 5.24 5 hrs 35 mins
30 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,004,484 199,780 5.03 5 hrs 46 mins
31 GeForce GTX 980 Ti
GM200 [GeForce GTX 980 Ti] 5632
Nvidia GM200 974,368 199,335 4.89 5 hrs 55 mins
32 Radeon RX 5600 OEM/5600 XT/5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]
AMD Navi 10 902,135 194,546 4.64 5 hrs 11 mins
33 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 847,914 190,718 4.45 5 hrs 24 mins
34 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 831,771 189,513 4.39 5 hrs 28 mins
35 GeForce GTX 1070
GP104 [GeForce GTX 1070]
Nvidia GP104 735,541 182,490 4.03 6 hrs 57 mins
36 GeForce GTX 1650 Ti Mobile
TU116M [GeForce GTX 1650 Ti Mobile]
Nvidia TU116M 676,892 177,424 3.82 6 hrs 17 mins
37 Radeon R9 Fury X
Fiji XT [Radeon R9 Fury X]
AMD Fiji XT 619,621 185,434 3.34 7 hrs 11 mins
38 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 539,645 151,624 3.56 7 hrs 45 mins
39 Tesla M40
GM200GL [Tesla M40] 6844
Nvidia GM200GL 534,329 105,222 5.08 5 hrs 44 mins
40 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 498,996 158,323 3.15 8 hrs 37 mins
41 GeForce GTX 1650
TU116 [GeForce GTX 1650] 2984
Nvidia TU116 493,113 159,770 3.09 8 hrs 47 mins
42 Quadro T2000 Mobile / Max-Q
TU117GLM [Quadro T2000 Mobile / Max-Q]
Nvidia TU117GLM 490,917 160,180 3.06 8 hrs 50 mins
43 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 432,540 153,056 2.83 8 hrs 30 mins
44 Radeon R9 200/300X Series
Hawaii [Radeon R9 200/300X Series]
AMD Hawaii 393,269 148,416 2.65 9 hrs 3 mins
45 Radeon R9 200/300 Series
Hawaii [Radeon R9 200/300 Series]
AMD Hawaii 353,425 138,210 2.56 9 hrs 23 mins
46 P104-100
GP104 [P104-100]
Nvidia GP104 344,258 140,987 2.44 10 hrs 50 mins
47 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 340,429 136,835 2.49 10 hrs 39 mins
48 P106-100
GP106 [P106-100]
Nvidia GP106 311,751 137,262 2.27 11 hrs 34 mins
49 GeForce GTX 1050 Ti
GP107 [GeForce GTX 1050 Ti] 2138
Nvidia GP107 278,028 141,747 1.96 12 hrs 14 mins
50 P106-090
GP106 [P106-090]
Nvidia GP106 266,680 127,069 2.10 11 hrs 26 mins
51 Quadro P1000
GP107GL [Quadro P1000]
Nvidia GP107GL 266,235 145,200 1.83 13 hrs 5 mins
52 Radeon R9 280/HD 7900/8950
Tahiti PRO [Radeon R9 280/HD 7900/8950]
AMD Tahiti PRO 247,665 126,950 1.95 12 hrs 18 mins
53 Radeon RX Vega gfx902
raven [Radeon RX Vega gfx902]
AMD raven 79,113 86,523 0.91 26 hrs 15 mins
54 Ryzen vega 8 mobile
Raven [Ryzen vega 8 mobile]
AMD Raven 51,138 74,181 0.69 35 hrs 49 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